input word = C00007903

Metabolite InformationStructural formula
Name Okanin 4'-gentiobioside
Formula C27H32O16
Mw 612.16903498
CAS RN 120181-05-7
C_ID C00007903 ,
InChIKey RSIUIFIIPQHJPT-ZPPVKVRKNA-N
InChICode InChI=1S/C27H32O16/c28-8-16-20(34)22(36)24(38)26(42-16)40-9-17-21(35)23(37)25(39)27(43-17)41-15-6-3-11(18(32)19(15)33)12(29)4-1-10-2-5-13(30)14(31)7-10/h1-7,16-17,20-28,30-39H,8-9H2/b4-1+/t16-,17-,20+,21+,22-,23-,24+,25+,26+,27+/m0/s1
SMILES c1(c(c(c(cc1)C(=O)/C=C/c1cc(c(cc1)O)O)O)O)O[C@@H]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O)CO[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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