input word = C00012793

Metabolite InformationStructural formula
Name Isochenopotriol
[1S-(1alpha,2beta,4abeta,7alpha)]-1,2,3,4,4a,5,6,7-Octahydro-2-(1-hydroxy-1-methylethyl)-4a,8-dimethyl-1,7-naphthalenediol
Formula C15H26O3
Mw 254.1881947
CAS RN 74799-43-2
C_ID C00012793 ,
InChIKey QHMROFDWUHQIEH-XLBJRIJTNA-N
InChICode InChI=1S/C15H26O3/c1-9-11(16)6-8-15(4)7-5-10(14(2,3)18)13(17)12(9)15/h10-11,13,16-18H,5-8H2,1-4H3/t10-,11-,13+,15+/m1/s1
SMILES C1(=C2[C@](CC[C@H]1O)(CC[C@H]([C@@H]2O)C(O)(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeChenopodium botrys Ref.
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OrganismChenopodium botrys
Referencede Pascual Tetesa, Tetrahedron,36,(1980),371