input word = C00042279

Metabolite InformationStructural formula
Name beta-Elemonic acid
Formula C30H46O3
Mw 454.34469533
CAS RN 28282-25-9
C_ID C00042279 ,
InChIKey XLPAINGDLCDYQV-NTEULVNPNA-N
InChICode InChI=1S/C30H46O3/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/h9,20-21,24H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,28+,29-,30+/m0/s1
SMILES [C@@]12([C@@H](CCC3=C1CC[C@@]1([C@@]3(CC[C@H]1[C@@H](C(=O)O)CCC=C(C)C)C)C)C(C(=O)CC2)(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBurseraceaeBoswellia papyrifera Ref.
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