input word = C00023433

Metabolite InformationStructural formula
Name ent-14R,15-Dihydroxy-1(10),13(16)-halimadien-18-oic acid methyl ester
Formula C20H32O4
Mw 336.23005951
CAS RN 67988-03-8
C_ID C00023433 ,
InChIKey FPKQOKNYCVLYQX-GCGZLWQCNA-N
InChICode InChI=1S/C20H32O4/c1-13(17(22)12-21)9-11-19(3)14(2)7-8-16-15(19)6-5-10-20(16,4)18(23)24/h6,14,16-17,21-22H,1,5,7-12H2,2-4H3,(H,23,24)/t14-,16+,17-,19+,20+/m1/s1
SMILES C1C[C@]([C@@H]2C(=C1)[C@]([C@@H](CC2)C)(CCC(=C)[C@@H](CO)O)C)(C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCistaceaeHalimium umbellatum Ref.
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OrganismHalimium umbellatum
ReferenceDe Pascual Teresa,An. Quim.,74,(1979),488