CHEBI:208658 - Penitalarin A

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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 Penitalarin A
ChEBI ID CHEBI:208658
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H34O4
Net Charge 0
Average Mass 374.521
Monoisotopic Mass 374.24571
InChI InChI=1S/C23H34O4/c1-7-16(2)12-10-13-18(4)15-17(3)11-8-9-14-19-23(5)21(27-23)20(26-19)22(24)25-6/h8-14,16-17,19-21H,7,15H2,1-6H3/b11-8+,12-10+,14-9+,18-13+/t16-,17-,19-,20+,21-,23+/m0/s1
InChIKey MZRAWKILROXKNJ-AJJQXUGXSA-N
SMILES O=C(OC)[C@@H]1O[C@@H](/C=C/C=C/[C@@H](C/C(=C/C=C/[C@H](CC)C)/C)C)[C@@]2([C@H]1O2)C
ChEBI Ontology
Outgoing Penitalarin A (CHEBI:208658) is a dioxanes (CHEBI:46926)
IUPAC Name
methyl (1S,2R,4S,5R)-5-methyl-4-[(1E,3E,5R,7E,9E,11S)-5,7,11-trimethyltrideca-1,3,7,9-tetraenyl]-3,6-dioxabicyclo[3.1.0]hexane-2-carboxylate
Manual Xref Database
63002538 ChemSpider
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