input word = C00023305

Metabolite InformationStructural formula
Name 13E-Labdene-8alpha,15-diol 15-acetate
Formula C22H38O3
Mw 350.28209508
CAS RN 31149-06-1
C_ID C00023305 ,
InChIKey GYGSQPMBVQQYCF-JDIUKJDWNA-N
InChICode InChI=1S/C22H38O3/c1-16(11-15-25-17(2)23)8-9-19-21(5)13-7-12-20(3,4)18(21)10-14-22(19,6)24/h11,18-19,24H,7-10,12-15H2,1-6H3/b16-11+/t18-,19+,21-,22+/m0/s1
SMILES CC(=O)OC/C=C(C)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrobanchaceaeParentucellia latifolia Ref.
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OrganismParentucellia latifolia
ReferenceUrones,Phytochem.,29,(1990),2223