CHEBI:218685 - DC-52

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name DC-52
ChEBI ID CHEBI:218685
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H22N2O4
Net Charge 0
Average Mass 330.384
Monoisotopic Mass 330.15796
InChI InChI=1S/C18H22N2O4/c1-19-12-7-10(18(21)22)16(19)11-6-9-4-3-5-14(23-2)15(9)13-8-24-17(12)20(11)13/h3-5,10-13,16-17H,6-8H2,1-2H3,(H,21,22)/t10-,11+,12+,13+,16-,17-/m1/s1
InChIKey VOUMVHRRAVBACH-RXCQEBQVSA-N
SMILES O=C(O)[C@H]1[C@H]2N(C)[C@@H](C1)[C@H]3OC[C@@H]4N3[C@H]2CC=5C=CC=C(C45)OC
Metabolite of Species Details
Streptomyces melanovinaceus (NCBI:txid1182637) See: PubMed
ChEBI Ontology
Outgoing DC-52 (CHEBI:218685) is a isoquinolines (CHEBI:24922)
IUPAC Name
(1S,2R,3R,5S,6R,9R)-11-methoxy-18-methyl-7-oxa-17,18-diazapentacyclo[7.7.1.12,5.06,17.010,15]octadeca-10(15),11,13-triene-3-carboxylic acid
Manual Xref Database
139425 ChemSpider
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