input word = C00003744

Metabolite InformationStructural formula
Name alpha-Elemolic acid
alpha-elemenadienolic acid
Formula C30H48O3
Mw 456.3603454
CAS RN 28282-27-1
C_ID C00003744 ,
InChIKey NBSBUIQBEPROBM-UAAPTAKANA-N
InChICode InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,25+,28+,29-,30+/m0/s1
SMILES C1[C@H](C([C@H]2[C@](C1)(C1=C(CC2)[C@@]2([C@@](CC1)([C@@H](CC2)[C@H](CCC=C(C)C)C(=O)O)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBurseraceaeCanarium spp Ref.
PlantaeBurseraceaeCanarium spp. Ref.
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OrganismCanarium spp.
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter59