CHEBI:219998 - Brevione 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 Brevione A
ChEBI ID CHEBI:219998
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H34O4
Net Charge 0
Average Mass 422.565
Monoisotopic Mass 422.24571
InChI InChI=1S/C27H34O4/c1-15-8-9-20-25(6)12-11-21(28)24(4,5)19(25)10-13-26(20,7)27(15)14-18-22(31-27)16(2)17(3)30-23(18)29/h8,11-12,19-20H,9-10,13-14H2,1-7H3/t19-,20+,25-,26+,27-/m1/s1
InChIKey UEDJWUJYTSKAJA-PCWYVQTFSA-N
SMILES O=C1OC(=C(C)C2=C1C[C@]3(C(=CC[C@@H]4[C@@]3(CC[C@H]5[C@]4(C=CC(=O)C5(C)C)C)C)C)O2)C
Metabolite of Species Details
Penicillium brevicompactum (NCBI:txid5074) See: DOI
ChEBI Ontology
Outgoing Brevione A (CHEBI:219998) is a diterpene lactone (CHEBI:49193)
IUPAC Name
(2R,4'aS,4'bS,8'aS,10'aS)-1',1',4'a,6,7,7',8'a-heptamethylspiro[3H-uro[3,2-c]pyran-2,8'-5,9,10,10a-tetrahydro-4bH-phenanthrene]-2',4-dione
Manual Xref Database
78440403 ChemSpider
View more database links