input word = C00045086

Metabolite InformationStructural formula
Name Stigmast-5-ene 3beta,4beta,7alpha,22alpha-tetraol
Formula C29H50O4
Mw 462.37091008
CAS RN 540745-35-5
C_ID C00045086 ,
InChIKey FWYCPLNBQGHPTR-VGJWIQJDNA-N
InChICode InChI=1S/C29H50O4/c1-7-18(16(2)3)14-24(31)17(4)19-8-9-20-26-21(10-12-28(19,20)5)29(6)13-11-23(30)27(33)22(29)15-25(26)32/h15-21,23-27,30-33H,7-14H2,1-6H3/t17-,18+,19+,20-,21-,23-,24+,25-,26-,27+,28+,29+/m0/s1
SMILES C1[C@@H]([C@@H](C2=C[C@@H]([C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3CC[C@@H]1[C@@H]([C@@H](C[C@H](C(C)C)CC)O)C)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeVerbena littoralis Ref.
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