input word = C00053800

Metabolite InformationStructural formula
Name Stigmasta-3,5-dien-7-ol
Formula C29H48O
Mw 412.37051615
CAS RN 1082202-57-0
C_ID C00053800
InChIKey DSVMVXCLJRATHG-RJYKPAARSA-N
InChICode InChI=1S/C29H48O/c1-7-21(19(2)3)12-11-20(4)23-13-14-24-27-25(15-17-29(23,24)6)28(5)16-9-8-10-22(28)18-26(27)30/h8,10,18-21,23-27,30H,7,9,11-17H2,1-6H3/t20-,21-,23-,24+,25+,26?,27+,28+,29-/m1/s1
SMILES [H][C@]1([C@H](C)CC[C@H](C(C)C)CC)CC[C@@]2([H])[C@]3([H])C(O)C=C4C=CCC[C@]4(C)[C@@]3([H])CC[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePinus sibirica Ref.
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