input word = C00036246

Metabolite InformationStructural formula
Name (-)-Isochaminic acid
Formula C10H14O2
Mw 166.09937969
CAS RN 129085-66-1
C_ID C00036246 ,
InChIKey BKLAIYZBALVMQV-HGXVMFPFNA-N
InChICode InChI=1S/C10H14O2/c1-10(2)7-4-3-6(9(11)12)5-8(7)10/h5,7-8H,3-4H2,1-2H3,(H,11,12)/t7-,8+/m0/s1
SMILES [C@@H]12[C@@H](C=C(CC1)C(=O)O)C2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgeratina anisochroma Ref.
PlantaePhyllanthaceaeBridelia retusa Ref.
--bridelia retusa Ref.
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OrganismAgeratina anisochroma
ReferenceSingh, B and Sharma, R. A., Secondary Metabolites of Medicinal Plants, Vol. 1, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.