input word = C00042632

Metabolite InformationStructural formula
Name Isoiguesterin
Formula C28H36O2
Mw 404.27153039
CAS RN 79726-65-1
C_ID C00042632 ,
InChIKey RUVGAOXZLPFVKY-HUFHRTCTNA-N
InChICode InChI=1S/C28H36O2/c1-17-9-10-25(3)11-13-27(5)22-8-7-19-18(2)24(30)21(29)16-20(19)26(22,4)12-14-28(27,6)23(25)15-17/h7-8,16,23,30H,1,9-15H2,2-6H3/t23-,25-,26+,27-,28+/m1/s1
SMILES C1(=C)CC[C@]2([C@@H](C1)[C@]1([C@](CC2)(C2=CC=C3C(=CC(=O)C(=C3C)O)[C@@]2(CC1)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeSalacia madagascariensis Ref.
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OrganismSalacia madagascariensis
ReferenceThiem,J.Nat.Prod.,68,(2005),251