CHEBI:200879 - Aspercyclide C

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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 Aspercyclide C
ChEBI ID CHEBI:200879
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H26O5
Net Charge 0
Average Mass 382.456
Monoisotopic Mass 382.17802
InChI InChI=1S/C23H26O5/c1-3-4-5-9-21-19(24)13-11-16-7-6-8-20(25)22(16)27-17-12-10-15(2)18(14-17)23(26)28-21/h6-8,10-14,19,21,24-25H,3-5,9H2,1-2H3/b13-11+/t19-,21-/m0/s1
InChIKey FAXYTGRENYUAJU-MMTLXRNNSA-N
SMILES O=C1O[C@H]([C@@H](O)C=CC=2C=CC=C(C2OC3=CC1=C(C=C3)C)O)CCCCC
Metabolite of Species Details
Aspergillusspecies (NCBI:txid5065) See: DOI
ChEBI Ontology
Outgoing Aspercyclide C (CHEBI:200879) is a aromatic ether (CHEBI:35618)
IUPAC Name
(9E,11S,12S)-4,11-dihydroxy-16-methyl-12-pentyl-2,13-dioxatricyclo[13.3.1.03,8]nonadeca-1(19),3(8),4,6,9,15,17-heptaen-14-one
Manual Xref Database
78436688 ChemSpider
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