CHEBI:210190 - N-2-butyric-azochaetoviridin E

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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 N-2-butyric-azochaetoviridin E
ChEBI ID CHEBI:210190
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H30ClNO6
Net Charge 0
Average Mass 499.990
Monoisotopic Mass 499.17617
InChI InChI=1S/C27H30ClNO6/c1-6-15(3)10-11-17-13-18-19(14-29(17)12-8-9-20(30)31)22-21(24(32)16(4)7-2)26(34)35-27(22,5)25(33)23(18)28/h7,10-11,13-15H,6,8-9,12H2,1-5H3,(H,30,31)/b11-10+,16-7+/t15-,27-/m0/s1
InChIKey SRHMVVABWPFZIM-SPWBCSBSSA-N
SMILES ClC1=C2C(C3=C(C(=O)/C(=C/C)/C)C(O[C@@]3(C1=O)C)=O)=CN(CCCC(=O)O)C(=C2)/C=C/[C@H](CC)C
Metabolite of Species Details
Chaetomium (NCBI:txid5149) See: DOI
ChEBI Ontology
Outgoing N-2-butyric-azochaetoviridin E (CHEBI:210190) is a isoquinolines (CHEBI:24922)
IUPAC Name
4-[(6aS)-5-chloro-6a-methyl-9-[(E)-2-methylbut-2-enoyl]-3-[(E,3S)-3-methylpent-1-enyl]-6,8-dioxouro[2,3-h]isoquinolin-2-yl]butanoic acid
Manual Xref Database
28637867 ChemSpider
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