CHEBI:92192 - (7S)-7-acetamido-1,2,3-trimethoxy-6,7-dihydro-5H-dibenzo[5,3-b:1',2'-e][7]annulene-9-carboxylic acid

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ChEBI Name (7S)-7-acetamido-1,2,3-trimethoxy-6,7-dihydro-5H-dibenzo[5,3-b:1',2'-e][7]annulene-9-carboxylic acid
ChEBI ID CHEBI:92192
Stars This entity has been manually annotated by a third party.
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Formula C21H23NO6
Net Charge 0
Average Mass 385.411
Monoisotopic Mass 385.15254
InChI InChI=1S/C21H23NO6/c1-11(23)22-16-8-6-12-10-17(26-2)19(27-3)20(28-4)18(12)14-7-5-13(21(24)25)9-15(14)16/h5,7,9-10,16H,6,8H2,1-4H3,(H,22,23)(H,24,25)/t16-/m0/s1
InChIKey ZAIRUODZMPTJLF-INIZCTEOSA-N
SMILES CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)C(=O)O)OC)OC)OC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing (7S)-7-acetamido-1,2,3-trimethoxy-6,7-dihydro-5H-dibenzo[5,3-b:1',2'-e][7]annulene-9-carboxylic acid (CHEBI:92192) is a acetamides (CHEBI:22160)
(7S)-7-acetamido-1,2,3-trimethoxy-6,7-dihydro-5H-dibenzo[5,3-b:1',2'-e][7]annulene-9-carboxylic acid (CHEBI:92192) is a alkaloid (CHEBI:22315)
(7S)-7-acetamido-1,2,3-trimethoxy-6,7-dihydro-5H-dibenzo[5,3-b:1',2'-e][7]annulene-9-carboxylic acid (CHEBI:92192) is a carbotricyclic compound (CHEBI:38032)
Manual Xref Database
LSM-2230 LINCS
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