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callophycoic acid A

PropertiesImageOccurences in reactions
MNX_IDMNXM103447Image of MNXM103447
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC27H35BrO3
charge0
mass486.17696
referencechebi:65557
InChIKeyUWOQPCLHJDMFFV-FXSXARLRSA-N
InChIInChI=1S/C27H35BrO3/c1-18(2)7-5-8-19(3)9-6-14-27(4)23-16-22-15-20(26(29)30)10-12-24(22)31-17-21(23)11-13-25(27)28/h7,9-12,15,23,25H,5-6,8,13-14,16-17H2,1-4H3,(H,29,30)/b19-9+/t23-,25+,27+/m1/s1
SMILESCC(C)=CCC/C(C)=C/CC[C@]1(C)[C@@H](Br)CC=C2COc3ccc(C(=O)O)cc3C[C@H]21
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:65557
chebi:65557
callophycoic acid A
(9S,10S,10aR)-9-bromo-10-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-10-methyl-6,8,9,10,10a,11-hexahydrodibenzo[b,e]oxepine-2-carboxylic acid