input word = C00021137

Metabolite InformationStructural formula
Name [3S-(3alpha,3aalpha,5alpha,8alpha,8abeta)]-Decahydro-3-hydroxy-3a,8-dimethyl-a-methylene 5-azuleneacetic acid
Formula C15H24O3
Mw 252.17254463
CAS RN 130395-57-2
C_ID C00021137 ,
InChIKey VTJQRZKWDGRSMU-GSYSWNCTNA-N
InChICode InChI=1S/C15H24O3/c1-9-4-5-11(10(2)14(17)18)8-15(3)12(9)6-7-13(15)16/h9,11-13,16H,2,4-8H2,1,3H3,(H,17,18)/t9-,11+,12-,13-,15-/m0/s1
SMILES C=C(C(=O)O)[C@@H]1CC[C@H](C)[C@@H]2CC[C@H](O)[C@@]2(C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeXanthium pungens Ref.
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OrganismXanthium pungens
ReferenceAhmed,Phytochem.,29,(1990),2211