CHEBI:208669 - Penitalarin C

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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 C
ChEBI ID CHEBI:208669
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C23H34O5
Net Charge 0
Average Mass 390.520
Monoisotopic Mass 390.24062
InChI InChI=1S/C23H34O5/c1-6-18(15-24)12-9-11-17(3)14-16(2)10-7-8-13-19-23(4)21(28-23)20(27-19)22(25)26-5/h7-13,16,18-21,24H,6,14-15H2,1-5H3/b10-7+,12-9+,13-8+,17-11+/t16-,18-,19-,20+,21-,23+/m0/s1
InChIKey PICZSRRDNJXWDK-ROMYUACXSA-N
SMILES O=C(OC)[C@@H]1O[C@@H](/C=C/C=C/[C@@H](C/C(=C/C=C/[C@@H](CO)CC)/C)C)[C@@]2([C@H]1O2)C
ChEBI Ontology
Outgoing Penitalarin C (CHEBI:208669) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name
methyl (1S,2R,4S,5R)-4-[(1E,3E,5R,7E,9E,11S)-11-(hydroxymethyl)-5,7-dimethyltrideca-1,3,7,9-tetraenyl]-5-methyl-3,6-dioxabicyclo[3.1.0]hexane-2-carboxylate
Manual Xref Database
63002540 ChemSpider
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