input word = C00013190

Metabolite InformationStructural formula
Name Celorbicol
[3R-(3alpha,5beta,5aalpha,6alpha,9alpha,9aalpha,10R*)]-Octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5,6,10-triol
Formula C15H26O4
Mw 270.18310932
CAS RN 59812-41-8
C_ID C00013190 ,
InChIKey ZMJYKRKSXFSXBE-UHFFFAOYNA-N
InChICode InChI=1S/C15H26O4/c1-8-5-6-10(16)14(4)11(17)7-9-12(18)15(8,14)19-13(9,2)3/h8-12,16-18H,5-7H2,1-4H3/t8-,9-,10-,11+,12-,14+,15-/m0/s1
SMILES [C@@H]12C[C@H]([C@@]3([C@@]([C@H](CC[C@@H]3O)C)(OC1(C)C)[C@H]2O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeCelastrus orbiculatus Ref.
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