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CHEBI:226080 - N-(3,7-dimethyl-2,6-octadienyl)-2-aza-2-deoxychaetoviridin E

ChEBI IDCHEBI:226080
ChEBI NameN-(3,7-dimethyl-2,6-octadienyl)-2-aza-2-deoxychaetoviridin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40ClNO4
Net Charge0
Average Mass550.139
Monoisotopic Mass549.26459
SMILESC/C=C(\C)C(=O)C1=C2C3=CN(C/C=C(\C)CCC=C(C)C)C(/C=C/[C@@H](C)CC)=CC3=C(Cl)C(=O)[C@@]2(C)OC1=O
InChIInChI=1S/C33H40ClNO4/c1-9-21(5)14-15-24-18-25-26(19-35(24)17-16-22(6)13-11-12-20(3)4)28-27(30(36)23(7)10-2)32(38)39-33(28,8)31(37)29(25)34/h10,12,14-16,18-19,21H,9,11,13,17H2,1-8H3/b15-14+,22-16+,23-10+/t21-,33-/m0/s1
InChIKeyZGADLWPTXGMKBY-JBTZFDPFSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (32193933)
ChEBI Ontology
Outgoing Relation(s)
N-(3,7-dimethyl-2,6-octadienyl)-2-aza-2-deoxychaetoviridin E (CHEBI:226080) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(6aS)-5-chloro-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-6a-methyl-9-[(E)-2-methylbut-2-enoyl]-3-[(E,3S)-3-methylpent-1-enyl]uro[2,3-h]isoquinoline-6,8-dione
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