input word = C00012837

Metabolite InformationStructural formula
Name Quadrangulin A
[1S-(1alpha,2beta,4abeta,8aalpha)]-Decahydro-1-hydroxy-4a-methyl-alpha,8-bis(methylene)-2-naphthaleneacetic acid methyl ester
Formula C16H24O3
Mw 264.17254463
CAS RN 81373-87-7
C_ID C00012837 ,
InChIKey QKJPFZYODFIADE-KEFKHSQJNA-N
InChICode InChI=1S/C16H24O3/c1-10-6-5-8-16(3)9-7-12(14(17)13(10)16)11(2)15(18)19-4/h12-14,17H,1-2,5-9H2,3-4H3/t12-,13+,14-,16+/m0/s1
SMILES C1(=C)[C@H]2[C@](CCC1)(CC[C@H]([C@@H]2O)C(=C)C(=O)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium quadrangulare Ref.
PlantaeAsteraceaeRudbeckia grandiflora Ref.
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OrganismEupatorium quadrangulare
ReferenceGonzalez,Phytochem.,24,(1985),1847

Vasquez,Phytochem.,27,(1988),2195