input word = C00057400

Metabolite InformationStructural formula
Name Neotigogenin
Formula C27H44O3
Mw 416.32904527
CAS RN 470-01-9
C_ID C00057400
InChIKey GMBQZIIUCVWOCD-PUHUBZITSA-N
InChICode InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
SMILES C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeTrigonella foenum-graecum Ref.
PlantaeSolanaceaeLycopersicon pimpinellifolium Ref.
PlantaeZygophyllaceaeTribulus terrestris Ref.
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