input word = C00012551

Metabolite InformationStructural formula
Name [3S-(3alpha,3abeta,8bbeta)]-7-Bromo-2,3,3a,8b-tetrahydro-3,3a,6,8b-tetramethyl-1H-cyclopenta[b]benzofuran
Aplysin (7CI)
(-)-Aplysin
Aplysin
Formula C15H19BrO
Mw 294.06192813
CAS RN 6790-63-2
C_ID C00012551 ,
InChIKey AZMIIVUEOLBHBL-ANPSPLOONA-N
InChICode InChI=1S/C15H19BrO/c1-9-7-13-11(8-12(9)16)14(3)6-5-10(2)15(14,4)17-13/h7-8,10H,5-6H2,1-4H3/t10-,14-,15-/m0/s1
SMILES Cc1cc2c(cc1Br)[C@]1(C)CC[C@H](C)[C@]1(C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAplysiidaeAplysia kurodai Ref.
--Laurencia johnstonii Ref.
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OrganismAplysia kurodai
ReferenceOhta,Phytochem.,16,(1977),1062