input word = C00058071

Metabolite InformationStructural formula
Name Stigmasta-4,6-dien-3-one
Formula C29H46O
Mw 410.35486609
CAS RN 29374-98-9
C_ID C00058071
InChIKey KEAZWUZFBSXOMV-XJZKHKOHSA-N
InChICode InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10-11,18-21,24-27H,7-9,12-17H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1
SMILES O=C1CC[C@]2(C)[C@@]3([H])CC[C@@]4(C)[C@](CC[C@@]4([C@H](C)CC[C@@H](CC)C(C)C)[H])([H])[C@]3([H])C=CC2=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeManihot esculenta Ref.
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OrganismManihot esculenta
ReferenceJaworska, R. et al., Pol. J. Chem. (Rocz. Chem.), 1970, 44, 1409 (synth)