input word = C00050813

Metabolite InformationStructural formula
Name Igagenin
Formula C27H44O5
Mw 448.31887452
CAS RN 21152-89-6
C_ID C00050813
InChIKey OQTHMXQOIPMBIV-OKGDLRCQNA-N
InChICode InChI=1S/C27H44O5/c1-15-24-23(32-27(15)9-6-16(13-28)14-31-27)11-20-18-5-4-17-10-21(29)22(30)12-26(17,3)19(18)7-8-25(20,24)2/h15-24,28-30H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-,22-,23-,24-,25-,26-,27+/m0/s1
SMILES C[C@H]1C2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](CO)CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea tokoro Ref.
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