CHEBI:208917 - Brasilianoid B

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 Brasilianoid B
ChEBI ID CHEBI:208917
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H34O5
Net Charge 0
Average Mass 414.542
Monoisotopic Mass 414.24062
InChI InChI=1S/C25H34O5/c1-14-21(5)12-17-22(6)10-9-18(26)30-20(3,4)16(22)8-11-23(17,7)25(14)19(27)29-15(2)24(25,28)13-21/h9-10,15-17,28H,1,8,11-13H2,2-7H3/t15-,16-,17+,21+,22-,23+,24+,25+/m1/s1
InChIKey SVIALEXDTCKIAX-FHYSOXBQSA-N
SMILES O=C1OC([C@H]2CC[C@]3([C@H]([C@@]2(C=C1)C)C[C@]4(C[C@]5([C@]3(C(=O)O[C@@H]5C)C4=C)O)C)C)(C)C
Metabolite of Species Details
Penicillium brasilianum (NCBI:txid104259) See: PubMed
ChEBI Ontology
Outgoing Brasilianoid B (CHEBI:208917) is a γ-lactone (CHEBI:37581)
IUPAC Name
(1R,2S,5S,11S,12S,14S,16R,17R)-16-hydroxy-2,6,6,11,14,17-hexamethyl-20-methylidene-7,18-dioxapentacyclo[12.5.1.01,16.02,12.05,11]icos-9-ene-8,19-dione
Manual Xref Database
71048617 ChemSpider
View more database links