input word = C00050124

Metabolite InformationStructural formula
Name Isoiguesterol
Formula C29H40O3
Mw 436.29774514
CAS RN 207273-01-6
C_ID C00050124 ,
InChIKey GYUVZGGERRSPQY-HWTGLURONA-N
InChICode InChI=1S/C29H40O3/c1-18-19-7-8-22-27(4,20(19)15-21(31)24(18)32)12-14-29(6)23-16-25(2,17-30)9-10-26(23,3)11-13-28(22,29)5/h7-8,15,23,30,32H,9-14,16-17H2,1-6H3/t23-,25-,26-,27+,28-,29+/m1/s1
SMILES CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(CO)CC[C@]3(C)CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeSalacia kraussii Ref.
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OrganismSalacia kraussii
ReferenceFigueiredo,J.Nat.Prod.,61,(1998),718