input word = C00038262

Metabolite InformationStructural formula
Name 3-O-beta-D-quinovopyranosylstrophanthidin
Formula C29H44O9
Mw 536.298533
CAS RN 955997-22-5
C_ID C00038262 ,
InChIKey RAWRNCRYFFPACC-UVVADWAVNA-N
InChICode InChI=1S/C29H44O9/c1-15-22(31)23(32)24(33)25(37-15)38-17-4-8-26(2)19-5-9-27(3)18(16-12-21(30)36-14-16)7-11-29(27,35)20(19)6-10-28(26,34)13-17/h12,15,17-20,22-25,31-35H,4-11,13-14H2,1-3H3/t15-,17+,18-,19+,20-,22-,23+,24-,25+,26-,27-,28+,29+/m1/s1
SMILES C1[C@@H](C[C@@]2([C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](CC2)C1=CC(=O)OC1)C)O)C)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSaussurea stella Maxim. Ref.
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