input word = C00012553

Metabolite InformationStructural formula
Name Aplysinol
[3S-(3alpha,3abeta,8bbeta)]-7-Bromo-1,2,3,8b-tetrahydro-3,6,8b-trimethyl-3aH-cyclopenta[b]benzofuran-3a-methanol
Formula C15H19BrO2
Mw 310.05684275
CAS RN 6790-64-3
C_ID C00012553 ,
InChIKey QKBMCQNYERBGHD-ANPSPLOONA-N
InChICode InChI=1S/C15H19BrO2/c1-9-6-13-11(7-12(9)16)14(3)5-4-10(2)15(14,8-17)18-13/h6-7,10,17H,4-5,8H2,1-3H3/t10-,14-,15-/m0/s1
SMILES Cc1cc2c(cc1Br)[C@]1(C)CC[C@H](C)[C@]1(CO)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAplysiidaeAplysia kurodai Ref.
--Laurencia tristicha Ref.
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OrganismAplysia kurodai
ReferenceYamamura,Tetrahedron,19,(1963),1485