input word = C00032209

Metabolite InformationStructural formula
Name (3.beta.,7.beta.,22E)-Stigmasta-5,22-dien-3beta,7beta-diol
Stigmasta-5,22-diene-3,7-diol
Formula C29H48O2
Mw 428.36543078
CAS RN 64998-20-5
C_ID C00032209 ,
InChIKey DPNNWDOFSGOYEK-IRSXREATNA-N
InChICode InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h8-9,17-20,22-27,30-31H,7,10-16H2,1-6H3/b9-8+/t19-,20+,22-,23+,24-,25-,26+,27-,28-,29+/m0/s1
SMILES C1[C@@H](CC2=C[C@H]([C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3CC[C@@H]1[C@H](/C=C/[C@@H](CC)C(C)C)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula cappa Ref.
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