Properties
Canonical smiles
O=C1C(OC2OC(C)C(O)C(O)C2O)=C(OC=3C=C(O)C=C(O)C13)C=4C=C(O)C(O)=C(O)C4
Chemical formula
C₂₁H₂₀O₁₂
Found in taxon
Eugenia uniflora, Oenothera howardii, Eugenia myrcianthes, Limonium axillare, Chrysophyllum marginatum, Euxylophora paraensis, Diplusodon astictus, Diplusodon speciosus, Polygonum senticosum, Persicaria senticosa, common myrtle, Pistacia lentiscus, Chondropetalum, Epilobium roseum, Epilobium montanum, Epilobium hirsutum, Epilobium hybridum, Epilobium dodonaei, Epilobium tetragonum, Epilobium alpinum, Epilobium parviflorum, Cistus laurifolius, Flemingia stricta, Desmanthus illinoensis, Libocedrus plumosa, Polygonum aviculare, Leea thorelii, Baeckea frutescens, Petiveria alliacea, Loropetalum chinense, Sedum sediforme, Plinia pennata, Rhododendron ellipticum, Myrsine africana, Myrsine seguinii, Rhoiptelea chiliantha, Myrcia multiflora, Phyllanthus tenellus, Lysimachia congestiflora, Phedimus aizoon, Phyllanthus virgatus, Betula schmidtii, Juglans mandshurica, Cuphea hyssopifolia, Searsia thyrsiflora, Syzygium cumini, Maesa lanceolata, Phyllanthus emblica, Manilkara zapota, Warburgia stuhlmannii, Nymphaea lotus, Diospyros glaucifolia, Clausena dunniana, Limonium caspium, Juniperus phoenicea, Phedimus kamtschaticus, Phedimus selskianus, Sedum montanum, Dianthus caryophyllus, Lysimachia christinae, Oenothera deserticola, Oenothera kunthiana, Oenothera multicaulis, Oenothera tetraptera, Oenothera speciosa, Licania heteromorpha, Syzygium corynocarpum, Syzygium malaccense, Norantea guianensis, Argania spinosa, Myrcia neoglabra, Alchornea glandulosa, Oenothera glaucifolia, Bridelia ferruginea, Platycladus orientalis, Diploknema butyracea, Catha edulis, Saxifraga cernua, Corylus avellana, Parinari capensis, Parinari congolana, Hypericum aucheri, Lysimachia nummularia, Flemingia faginea, Eriogonum umbellatum, Berchemia racemosa, Euphorbia hirta, Rhododendron simsii, Xylonagra arborea, Astilbe thunbergii, Myrica cerifera, Lens culinaris, Rubus, Vaccinium corymbosum, Vitis aestivalis, Vitis vinifera, Camellia crassicolumna, Camellia crassicolumna var. multiplex, Castanopsis fissa, Chrysophyllum cainito, Dichrostachys cinerea, Fagopyrum megacarpum, Eugenia selloi, Euphorbia petiolata, Limonium aureum, Limonium gmelini, Limonium popovii, Limonium sinense, Melaleuca quinquenervia, Miconia cabucu, Plinia cauliflora, Morella esculenta, Morella nana, Platycarya strobilacea, Rhododendron dahuricum, Rhododendron luteum, Ribes alpinum, Rodgersia podophylla, Sageretia thea, Sclerocarya birrea, Stachys cinerea, Syzygium levinei, Syzygium samarangense, Bauhinia glauca, Hypericum scabrum, Stachys germanica, Schnella microstachya, Cheniella glauca, Aeschynomene brasiliana, Nymphaea nouchali var. caerulea, Myrica rubra, Betula pendula, Cupressus sempervirens, Potentilla anserina, Euphorbia lunulata, Lotus herbaceus, Betula oycoviensis, Kalanchoe pinnata, Myrcia splendens, Schotia brachypetala, Pistacia weinmannifolia, Berchemia floribunda, Morella rubra, Diospyros japonica, Rhododendron latoucheae, Clausena anisata, Persicaria pubescens, Elegia deusta, Moquilea pyrifolia, Lotus dorycnium, Rhus chinensis, Choerospondias axillaris, Oenothera rosea, Parinari curatellifolia, Sedum crassularia, Phedimus selskanianus, Syzygium aqueum, Guiera senegalensis, Euphorbiaceae
Isomeric smiles
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)Oc2c(=O)c3c(cc(cc3oc2c4cc(c(c(c4)O)O)O)O)O)O)O)O
Mass
+464.09547608
Stereoisomer of
5,7-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one, 5,7-dihydroxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one, 5,7-dihydroxy-3-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one, 5,7-dihydroxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one, 5,7-dihydroxy-3-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one, 5,7-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
External References (25)
Cas registry number
17912-87-7
Chebi id
70082
Chembl id
CHEMBL454576
Chemspider id
4444992
Cosing number
91425
Dsstox compound identifier
DTXCID5093262
Dsstox substance id
DTXSID40170771
Ec number
241-856-7
Echa substance infocard id
100.038.036
Freebase id
/m/07k7_hm
Human metabolome database id
HMDB0034360
Inchi
InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1
Inchikey
DCYOADKBABEMIQ-OWMUPTOHSA-N
Kegg id
C10108
Knapsack id
C00005730
Lipid maps id
LMPK12112436
Massbank accession id
MSBNK-Fiocruz-FIO00195, MSBNK-Fiocruz-FIO00196, MSBNK-Fiocruz-FIO00197, MSBNK-Fiocruz-FIO00198, MSBNK-Fiocruz-FIO00199, MSBNK-Fiocruz-FIO00200, MSBNK-Fiocruz-FIO00201, MSBNK-Fiocruz-FIO00202, MSBNK-Fiocruz-FIO00203, MSBNK-Fiocruz-FIO00204, MSBNK-RIKEN-PR020068, MSBNK-RIKEN-PR040142, MSBNK-RIKEN-PR040143, MSBNK-RIKEN-PR040144, MSBNK-RIKEN-PR040145, MSBNK-RIKEN-PR040146, MSBNK-RIKEN-PR040147, MSBNK-RIKEN-PR040148, MSBNK-RIKEN-PR100248, MSBNK-RIKEN-PR100670, MSBNK-RIKEN-PR100973, MSBNK-RIKEN-PR101027, MSBNK-Univ_Toyama-TY000151
Microsoft academic id (discontinued)
2778415271
Nsc number
19803
Probes and drugs id
PD021617
Pubchem cid
5281673
Splash
splash10-014i-0109000000-47802379c3d771bd3b38, splash10-014i-0009000000-5d5e3c212e800610fb03, splash10-014i-0009000000-ce179f0c2bbddfa6d01b, splash10-014i-0219000000-35e5219a7017a2acee30, splash10-03di-0000900000-08c451e234a7f538aab2, splash10-03di-0001900000-5badfd6ca0a3c7108087, splash10-014i-0009200000-0ac02050a9f2ba2566cd, splash10-014i-0019000000-a5151ba54ece5590a461, splash10-01b9-0195000000-0a4501fef811344909b6, splash10-014i-0009100000-1a3364496e36694dea0e, splash10-02t9-0179800000-5cbee419595a10fbae63, splash10-03di-0003900002-339b58d6a0ea8a5a3b4a, splash10-014i-0059000000-a7f210805630398804a2, splash10-03di-0000900000-37862f98814d88b32c00, splash10-014i-2019000000-166993f5f127f48a6c4f, splash10-014i-1109000000-190e4799bf4134c3c43f, splash10-000i-0002900003-3457896b749822436c35, splash10-014i-3219000000-a7fb88f89a1143a4c804, splash10-02t9-0189500000-7698cce10f4e9c393351, splash10-02t9-0189600000-d188fa9c829aebcd6edd, splash10-014i-3109000000-7697decd21290c29abbf, splash10-03di-0000900001-f32d4630aedaf6242f45, splash10-014i-0009000000-cceb83d64da4466bf4f2, splash10-014i-0009000000-969b54e5c5dec80be5e4, splash10-014i-0009200000-4c7cd295aad404663a90, splash10-014i-0009300000-32e66ab4bbe548a32eff, splash10-0006-0009200000-7c97b8b4992a6ac8f1b4, splash10-0006-0009200000-85c6e012894b49c8e088, splash10-0537-0003900000-06292ec04cb664342f68, splash10-000y-0003900000-f08f5b6df986fb77bc4c, splash10-014i-0009600000-f77cf8348e684190a4db, splash10-014i-1309000000-76eaadadad4c06d2989e, splash10-014i-5109000000-720f79651ac4dabec1cc, splash10-01bi-9006000000-495dc0766f7a836d83bb, splash10-01bi-9006000000-329eac502e3ea32a9b6d, splash10-03di-0000900000-2d3b8a06cc3b6b17b820, splash10-03di-0000900000-c91aaf6dcdc0a4cc11ff, splash10-02t9-0009700000-76a74171c9751ffa6685, splash10-014i-0009100000-e5cd1edea0df66b5eda0, splash10-014i-0009000000-886818f52193a15ad844, splash10-014i-0049000000-9656a5ba7493a3e8c0fa, splash10-014i-0007900000-f80227e799e66f151e86, splash10-014i-1209000000-c376a42aa20f0fe8efa4, splash10-014i-7109000000-b7d3598062125b73d9fd, splash10-01b9-9008000000-7b245f284b1502e2cca6, splash10-03di-0000900000-29c58ce8d8c606b1666f, splash10-03di-0000900000-cb5b051369919962194f, splash10-02t9-0009800000-ee07c5b5ff324ef35093, splash10-014i-0009100000-f4069eb2258657bd6d2d, splash10-014i-0009000000-ec7e3ed20021a3e32e99, splash10-014i-0049000000-d40ae58f9bb177d47f9e, splash10-02t9-0019500000-8a172735850735aaec6b, splash10-014i-0119000000-c85bca2dff39e7c9a7b0
Surechembl id
226022
Unichem compound id
946554
Unii
5Z0ZO61WPJ