input word = C00007901

Metabolite InformationStructural formula
Name Okanin 3',4'-diglucoside
Formula C27H32O16
Mw 612.16903498
CAS RN 120181-06-8
C_ID C00007901 ,
InChIKey WHEBILOMSWILSO-NNIDGJBWNA-N
InChICode InChI=1S/C27H32O16/c28-8-16-19(34)21(36)23(38)26(41-16)40-15-6-3-11(12(30)4-1-10-2-5-13(31)14(32)7-10)18(33)25(15)43-27-24(39)22(37)20(35)17(9-29)42-27/h1-7,16-17,19-24,26-29,31-39H,8-9H2/b4-1+/t16-,17+,19-,20-,21+,22+,23+,24+,26-,27+/m1/s1
SMILES c1(c(c(c(cc1)C(=O)/C=C/c1cc(c(cc1)O)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBidens pilosa Ref.
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