input word = C00013187

Metabolite InformationStructural formula
Name (-)-Isocelorbicol
Isocelorbicol
[3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha)]-Octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5,6,7-triol
Formula C15H26O4
Mw 270.18310932
CAS RN 59812-47-4
C_ID C00013187 ,
InChIKey DNKWNWHMKFXSSE-ZWKQWQMGNA-N
InChICode InChI=1S/C15H26O4/c1-8-5-10(16)12(18)14(4)11(17)6-9-7-15(8,14)19-13(9,2)3/h8-12,16-18H,5-7H2,1-4H3/t8-,9-,10+,11+,12+,14-,15+/m1/s1
SMILES [C@H]12C[C@@H]([C@]3([C@]([C@@H](C[C@@H]([C@@H]3O)O)C)(OC1(C)C)C2)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeCelastrus orbiculatus Ref.
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