input word = C00012555

Metabolite InformationStructural formula
Name Isoaplysin
[3S-(3alpha,3abeta,8bbeta)]-3a-(Bromomethyl)-2,3,3a,8b-tetrahydro-3,6,8b-trimethyl-1H-cyclopenta[b]benzofuran
Formula C15H19BrO
Mw 294.06192813
CAS RN 68773-08-0
C_ID C00012555 ,
InChIKey YQQJZGHNUOBYEG-SWLHIULTNA-N
InChICode InChI=1S/C15H19BrO/c1-10-4-5-12-13(8-10)17-15(9-16)11(2)6-7-14(12,15)3/h4-5,8,11H,6-7,9H2,1-3H3/t11-,14-,15-/m0/s1
SMILES Cc1ccc2c(c1)O[C@@]1(CBr)[C@@H](C)CC[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Laurencia nipponica Ref.
--Laurencia okamurii Ref.
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