Properties
Canonical smiles
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O
Chemical formula
C₂₂H₂₂O₉
Found in taxon
Astragalus aksuensis, Astragalus hoantchy, Astragalus lehmannianus, Astragalus lepsensis, Astragalus membranaceus, Astragalus propinquus, Astragalus sieversianus, Cicer arietinum, Cicer flexuosum, Cicer mogoltavicum, Cicer pungens, Cicer songaricum, soybean, liquorice, Glycyrrhiza pallidiflora, Glycyrrhiza uralensis, Hedysarum polybotrys, Maackia amurensis, Ononis arvensis, Ononis speciosa, Pluchea lanceolata, Sophora flavescens, mountain clover, Trifolium polyphyllum, Trifolium aureum, Vigna radiata, Wisteria brachybotrys, Ammopiptanthus mongolicus, Amorpha fruticosa, Butea frondosa, Caragana conferta, Mucuna birdwoodiana, Podocytisus caramanicus, Styphnolobium japonicum, Thermopsis alterniflora, Thermopsis lupinoides, Trifolium resupinatum, Trifolium subterraneum, Xanthium strumarium, Chesneya mongolica, Thermopsis californica, Trifolium incarnatum, Trifolium repens, Cicer bijugum, Cicer canariense, Cicer chorassanicum, Cicer cuneatum, Cicer echinospermum, Cicer pinnatifidum, Cicer judaicum, Cicer macracanthum, Cicer microphyllum, Cicer nuristanicum, Cicer oxyodon, Cicer reticulatum, Cicer yamashitae, Astragalus austrosibiricus, Cicer kopetdaghense, Thermopsis lanceolata, Butea monosperma, Pueraria montana var. lobata, Sophora tonkinensis var. tonkinensis, Cicer anatolicum, Ononis spinosa, Trifolium pratense, Cicer tragacanthoides, Astragalus trimestris, Astragalus mongholicus, Baptisia australis, Deguelia scandens
Isomeric smiles
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Mass
+430.126382
Stereoisomer of
3-(4-methoxyphenyl)-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, 3-(4-methoxyphenyl)-7-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, 3-(4-methoxyphenyl)-7-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, 3-(4-methoxyphenyl)-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
External References (22)
Cas registry number
486-62-4
Chebi id
7775
Chembl id
CHEMBL465980
Chemspider id
391135
Dsstox compound identifier
DTXCID501391801
Dsstox substance id
DTXSID70964089
Freebase id
/m/07k4fgf
Human metabolome database id
HMDB0033987
Inchi
InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1
Inchikey
MGJLSBDCWOSMHL-MIUGBVLSSA-N
Kegg id
C10509
Knapsack id
C00002553
Lipid maps id
LMPK12050014
Massbank accession id
MSBNK-RIKEN-PR020043, MSBNK-RIKEN-PR100362, MSBNK-RIKEN-PR100809, MSBNK-RIKEN-PR100810, MSBNK-BS-BS003482, MSBNK-BS-BS003483, MSBNK-BS-BS003484, MSBNK-BS-BS003485, MSBNK-BS-BS003486, MSBNK-BS-BS003487, MSBNK-BS-BS003488, MSBNK-IPB_Halle-PB000745, MSBNK-IPB_Halle-PB000746, MSBNK-IPB_Halle-PB000781, MSBNK-IPB_Halle-PB000782
Microsoft academic id (discontinued)
2780527070
Probes and drugs id
PD052373
Pubchem cid
442813
Reaxys registry number
63067
Splash
splash10-014i-0090000000-73d57a2194a7712e79d1, splash10-014i-0090000000-496bc7f7d879774e97c3, splash10-0gb9-0290000000-7668bb15644a7d8dc6f5, splash10-001i-0000900000-c2d377d0b3d5d4de46a7, splash10-014i-0090000000-fe72c6473532677b1425, splash10-0gb9-0090100000-7c95282ec7095806ed5e, splash10-0uxr-0090000000-ec827988d17ba7072dd0, splash10-03di-0009000000-32224e82894f6f52341e, splash10-014i-0091000000-0b8b699e053575b227f0, splash10-001i-0000900000-8d92f94429b532d770ca, splash10-014i-0090000000-422db14def1e9c6051a5, splash10-014i-0090000000-4b795f781362c4e194b5, splash10-014i-0090000000-4062d54bc295b78e3a14, splash10-014i-0090000000-35348bf7e7685f7378f8, splash10-014i-0090000000-e46dec2f65176dcbe76d, splash10-014i-0190000000-8c26edd0fe5581b30b45, splash10-014i-0090000000-78dd16aeabbde194ce8d, splash10-014i-0090500000-f70bd611448779e8cc15, splash10-014i-0090000000-f3127b96ec2ef7f4022a
Surechembl id
240476
Unichem compound id
153460
Unii
Z0Z637970U