CHEBI:199327 - Allahabadolactone A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Allahabadolactone A
ChEBI ID CHEBI:199327
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H26O3
Net Charge 0
Average Mass 290.403
Monoisotopic Mass 290.18819
InChI InChI=1S/C18H26O3/c1-11-4-7-14-13(10-11)6-8-15-16(9-5-12(2)19)21-17(20)18(14,15)3/h5-6,8-9,11-16,19H,4,7,10H2,1-3H3/b9-5+/t11-,12+,13-,14-,15+,16+,18+/m1/s1
InChIKey CSAGVVBUHTWIPE-QMRAWZHHSA-N
SMILES O=C1O[C@@H](/C=C/[C@@H](O)C)[C@H]2[C@@]1([C@H]3[C@H](C=C2)C[C@H](C)CC3)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: DOI
ChEBI Ontology
Outgoing Allahabadolactone A (CHEBI:199327) is a naphthofuran (CHEBI:39270)
IUPAC Name
(3S,3aR,5aS,7R,9aR,9bS)-3-[(E,3S)-3-hydroxybut-1-enyl]-7,9b-dimethyl-3,3a,5a,6,7,8,9,9a-octahydrobenzo[g][2]benzouran-1-one
Manual Xref Database
78436489 ChemSpider
View more database links