Properties
Canonical smiles
CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O
Chemical formula
C₂₇H₃₀O₁₄
Found in taxon
Justicia spicigera, Lespedeza virgata, Ixora coccinea, broad bean, Lotus edulis, Dryopteris crassirhizoma, Sedum dendroideum, Annulohypoxylon bovei, Agrimonia pilosa, Androsace umbellata, Bauhinia forficata, Cardamine leucantha, Celastrus orbiculatus, Chenopodium murale, Cinnamomum yabunikkei, Cinnamomum osmophloeum, Cinnamomum burmanni, Cinnamomum sieboldii, Cissus sicyoides, Cissus verticillata, Eddoe, Colocasia esculenta, Dorycnium hirsutum, Farsetia aegyptia, Ficus septica, Garcinia dulcis, Humulus lupulus, Ligustrum vulgare, Pterogyne nitens, Raphanus sativus, Hylotelephium telephium, Macrothelypteris torresiana, Tilia tomentosa, Trichosanthes cucumeroides, Trichosanthes ovigera, Camellia sinensis, Asplenium trichomanes-ramosum, Asplenium viride, Prunus spinosa, Epimedium acuminatum, Chromolaena subscandens, Hibiscus cannabinus, Cleome amblyocarpa, Cleome brachycarpa, Thulinella chrysantha, Vancouveria hexandra, Hedyotis verticillata, Adesmia incana, Geranium thunbergii, Pilularia minuta, Pilularia globulifera, Ostericum sieboldii, Panax trifolius, Viola diamantiaca, Chengiopanax sciadophylloides, Cissus discolor, Lotus hirsutus, Stylidocleome brachycarpa, Scleromitrion verticillatum, Cleome droserifolia, Raphanus raphanistrum, Cleome chrysantha, Aconitum vulparia, Tilia mandshurica, Arabidopsis thaliana, Lotus tenuis, Lotus herbaceus, Arivela viscosa
Isomeric smiles
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O
Mass
+578.163556
Stereoisomer of
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one, 5-Hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]chromen-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one, 5-Hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]chromen-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]chromen-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]chromen-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]chromen-4-one, Kaempferol-3,7-O-bis-alpha-L-rhamnoside, 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
External References (24)
Cas registry number
482-38-2
Chebi id
68883
Chembl id
CHEMBL251766
Chemspider id
4588900
Dsstox compound identifier
DTXCID00119949
Dsstox substance id
DTXSID90197458
Freebase id
/m/07khf1y
Human metabolome database id
HMDB0037438
Inchi
InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1
Inchikey
PUPKKEQDLNREIM-QNSQPKOQSA-N
Kegg id
C16981
Knapsack id
C00005189
Lipid maps id
LMPK12111865
Massbank accession id
MSBNK-RIKEN-PR100943, MSBNK-RIKEN-PR100944, MSBNK-RIKEN-PR100981, MSBNK-RIKEN-PR100989, MSBNK-RIKEN-PR101009, MSBNK-RIKEN-PR101034, MSBNK-RIKEN-PR101046, MSBNK-Univ_Toyama-TY000224, MSBNK-Univ_Toyama-TY000228, MSBNK-Univ_Toyama-TY000237, MSBNK-BS-BS001024, MSBNK-BS-BS001025
Microsoft academic id (discontinued)
2780147077
Natural product atlas id
NPA013173
Nikkaji id
J94.496C
Probes and drugs id
PD019285
Pubchem cid
5486199
Reaxys registry number
73958
Splash
splash10-001i-0020900000-cff5cebd77d8af55155a, splash10-001i-0000930000-4528a8c0efd5cd7d384e, splash10-001i-0000930000-05546880dd0ca8b27efa, splash10-0a4i-0000900000-b238e2a54490a257d8a1, splash10-0a4i-0000900000-9e02282b01a62b20b286, splash10-00di-0000900000-5e715ddda0be047858cb, splash10-00di-0000900000-3451d5bb54395bbc27e6, splash10-0a4i-0000020900-c0b427176429de0e1049, splash10-0002-0092400100-ebbbe04721d3116536ec, splash10-0019-0090520000-8e9b49560ef1c495512d, splash10-003r-0080890000-90954644aa8be4f3e3d7, splash10-000i-0090100000-f7cb5208cc787bcfb1a3, splash10-000i-1090400000-7b252fa24dc92328e1d9, splash10-001r-0090440000-fe4ddd1e95a23c5456c3
Surechembl id
571402
Unichem compound id
22999
Unii
VPV01U3R59