input word = C00051125

Metabolite InformationStructural formula
Name Kammogenin
Formula C27H40O5
Mw 444.28757439
CAS RN 564-44-3
C_ID C00051125
InChIKey VSDHOXTXGGJBPB-VUDFYPBLNA-N
InChICode InChI=1S/C27H40O5/c1-14-7-8-27(31-13-14)15(2)24-22(32-27)10-19-17-6-5-16-9-20(28)21(29)12-25(16,3)18(17)11-23(30)26(19,24)4/h5,14-15,17-22,24,28-29H,6-13H2,1-4H3/t14-,15+,17-,18+,19+,20-,21-,22+,24+,25+,26-,27-/m1/s1
SMILES C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAgavaceaeAgave americana var.marginata Ref.
PlantaeDioscoreaceaeDioscorea tokoro Ref.
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