input word = C00029312

Metabolite InformationStructural formula
Name (22E,24S)-Stigmasta-5,22-dien-3beta,7alpha-diol
7alpha-Hydroxystigmasterol
Stigmasta-5,22-dien-3beta,7alpha.-diol
Formula C29H48O2
Mw 428.36543078
CAS RN 64998-19-2
C_ID C00029312 ,
InChIKey DPNNWDOFSGOYEK-BRXWKPBDNA-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-/m1/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\[C@H](C(C)C)CC)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeArtabotrys uncinatus Ref.
PlantaeLabiataeLeucas cephalotes SPRENG. Ref.
PlantaePoaceaeHordeum vulgare L.cv Mammut Ref.
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