input word = C00022234

Metabolite InformationStructural formula
Name (2alpha,13R)-2,13-Dihydroxy-8,14-labdadien-7-one
Formula C20H32O3
Mw 320.23514489
CAS RN 125206-03-3
C_ID C00022234 ,
InChIKey KOQIOIDWZPDZBR-GNWRVJEENA-N
InChICode InChI=1S/C20H32O3/c1-7-19(5,23)9-8-15-13(2)16(22)10-17-18(3,4)11-14(21)12-20(15,17)6/h7,14,17,21,23H,1,8-12H2,2-6H3/t14-,17-,19-,20+/m0/s1
SMILES [C@@H]1(CC([C@H]2[C@](C1)(C(=C(C(=O)C2)C)CC[C@@](C)(O)C=C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeWaitzia acuminata Ref.
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OrganismWaitzia acuminata
ReferenceJakupovic,Phytochem.,28,(1989),1943