CHEBI:211296 - Quiannulatic acid

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 Quiannulatic acid
ChEBI ID CHEBI:211296
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H38O2
Net Charge 0
Average Mass 370.577
Monoisotopic Mass 370.28718
InChI InChI=1S/C25H38O2/c1-14(2)17-7-10-24(22(26)27)13-18-16(4)23(5)9-8-19-15(3)6-11-25(19,23)21(18)12-20(17)24/h14-15,17,19-21H,6-13H2,1-5H3,(H,26,27)/t15-,17+,19+,20-,21+,23+,24-,25-/m1/s1
InChIKey XXBPHKHKRDOYCF-JSCOTLTNSA-N
SMILES O=C(O)[C@]12[C@@H]([C@H](C(C)C)CC1)C[C@@H]3[C@]45[C@H]([C@H](C)CC4)CC[C@]5(C(=C3C2)C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Quiannulatic acid (CHEBI:211296) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(1S,2R,5R,6S,9R,13R,16S,17R)-5,9,10-trimethyl-16-propan-2-ylpentacyclo[9.7.0.02,6.02,9.013,17]octadec-10-ene-13-carboxylic acid
Manual Xref Database
78437977 ChemSpider
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