input word = C00032942

Metabolite InformationStructural formula
Name Ergosta-7-ene-3beta,5alpha,6beta-triol
Formula C28H48O3
Mw 432.3603454
CAS RN 119309-45-4
C_ID C00032942 ,
InChIKey JWMRKFVNKPPGSE-KLJUOIGPNA-N
InChICode InChI=1S/C28H48O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h15,17-20,22-25,29-31H,7-14,16H2,1-6H3/t18-,19+,20-,22+,23-,24-,25+,26+,27+,28-/m0/s1
SMILES C1[C@@H](C[C@]2([C@](C1)([C@@H]1C(=C[C@H]2O)[C@H]2[C@](CC1)([C@H](CC2)[C@@H](CC[C@@H](C(C)C)C)C)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiMycenaceaePanellus serotinus (PERS.:FR.) KUHN. Ref.
FungiTricholomataceaeLepista nuda (BULL.:FR.) COOKE Ref.
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OrganismPanellus serotinus (PERS.:FR.) KUHN.
ReferenceYaoita,Chem.Pharm.Bull.,49,(2001),589