CHEBI:226064 - N-(3-methyl-2-butenyl)-2-aza-2-deoxychaetoviridin E

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ChEBI Name N-(3-methyl-2-butenyl)-2-aza-2-deoxychaetoviridin E
ChEBI ID CHEBI:226064
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H32ClNO4
Net Charge 0
Average Mass 482.020
Monoisotopic Mass 481.20199
InChI InChI=1S/C28H32ClNO4/c1-8-17(5)10-11-19-14-20-21(15-30(19)13-12-16(3)4)23-22(25(31)18(6)9-2)27(33)34-28(23,7)26(32)24(20)29/h9-12,14-15,17H,8,13H2,1-7H3/b11-10+,18-9+/t17-,28-/m0/s1
InChIKey VULNUYRPNJJMAM-VYSLBBLTSA-N
SMILES ClC1=C2C(C3=C(C(=O)/C(=C/C)/C)C(O[C@@]3(C1=O)C)=O)=CN(CC=C(C)C)C(=C2)/C=C/[C@H](CC)C
Metabolite of Species Details
Chaetomium (NCBI:txid5149) See: PubMed
ChEBI Ontology
Outgoing N-(3-methyl-2-butenyl)-2-aza-2-deoxychaetoviridin E (CHEBI:226064) is a isoquinolines (CHEBI:24922)
IUPAC Name
(6aS)-5-chloro-6a-methyl-9-[(E)-2-methylbut-2-enoyl]-2-(3-methylbut-2-enyl)-3-[(E,3S)-3-methylpent-1-enyl]uro[2,3-h]isoquinoline-6,8-dione
Manual Xref Database
88294773 ChemSpider
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