CHEBI:199006 - Chaetomugilin I

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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 Chaetomugilin I
ChEBI ID CHEBI:199006
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H27ClO5
Net Charge 0
Average Mass 406.900
Monoisotopic Mass 406.15470
InChI InChI=1S/C22H27ClO5/c1-6-12(2)19(25)10-18-17-11-28-15(8-7-13(3)14(4)24)9-16(17)20(23)21(26)22(18,5)27/h6-9,11,13-14,18,24,27H,10H2,1-5H3/b8-7+,12-6+/t13-,14-,18+,22+/m1/s1
InChIKey BYFBAJVBSPNIFS-YJTDBNEFSA-N
SMILES ClC1=C2C(=COC(=C2)/C=C/[C@H]([C@H](O)C)C)[C@H](CC(=O)/C(=C/C)/C)[C@@](C1=O)(O)C
Metabolite of Species Details
Chaetomium globosum (NCBI:txid38033) See: DOI
ChEBI Ontology
Outgoing Chaetomugilin I (CHEBI:199006) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(7S,8S)-5-chloro-7-hydroxy-3-[(E,3R,4R)-4-hydroxy-3-methylpent-1-enyl]-7-methyl-8-[(E)-3-methyl-2-oxopent-3-enyl]-8H-isochromen-6-one
Manual Xref Database
26607402 ChemSpider
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