input word = C00012797

Metabolite InformationStructural formula
Name [1R-(1alpha,2beta,4abeta,7beta,8aalpha)]-Decahydro-2-(1-hydroxy-1-methylethyl)-4a-methyl-8-methylene-1,7-naphthalenediol
3-epi-Chenopotriol
Formula C15H26O3
Mw 254.1881947
CAS RN 74799-33-0
C_ID C00012797 ,
InChIKey PJDGWXXYLXLWMB-CCTDJDRSNA-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/h10-13,16-18H,1,5-8H2,2-4H3/t10-,11+,12-,13+,15+/m1/s1
SMILES C=C1[C@@H]2[C@@H](O)[C@H](C(C)(C)O)CC[C@@]2(C)CC[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeChenopodium botrys Ref.
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OrganismChenopodium botrys
Referencede Pascual Teresa, Tetrahedron,36,(1980),371