input word = C00011692

Metabolite InformationStructural formula
Name Isocaespitol
Isocespitol
[2R-[2a(1S*,3R*,4R*),3alpha,5beta]]- 5-Bromo-2-(4-bromo-3-chloro-4-methylcyclohexyl)tetrahydro-2,6,6-trimethyl-2H-pyran-3-ol
Formula C15H25Br2ClO2
Mw 429.99098355
CAS RN 53915-39-2
C_ID C00011692 ,
InChIKey OVZBIWJSECOXAT-WPMABTPHNA-N
InChICode InChI=1S/C15H25Br2ClO2/c1-13(2)10(16)8-12(19)15(4,20-13)9-5-6-14(3,17)11(18)7-9/h9-12,19H,5-8H2,1-4H3/t9-,10+,11+,12+,14+,15+/m0/s1
SMILES C1[C@H]([C@](OC([C@@H]1Br)(C)C)([C@@H]1C[C@H]([C@](CC1)(C)Br)Cl)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcoraceaeAcorus calamus Ref.
--Laurencia caespitosa Ref.
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