CHEBI:219457 - Sartorenol

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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 Sartorenol
ChEBI ID CHEBI:219457
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H42O4
Net Charge 0
Average Mass 430.629
Monoisotopic Mass 430.30831
InChI InChI=1S/C27H42O4/c1-17-8-11-23-26(6,21(17)10-9-20(30)16-18(2)28)14-12-22-25(4,5)24(31-19(3)29)13-15-27(22,23)7/h16,21-24,30H,1,8-15H2,2-7H3/t21?,22-,23?,24-,26?,27-/m0/s1
InChIKey LAWKPPMBEOJCIZ-MNTPNPORSA-N
SMILES O=C(O[C@@H]1C([C@H]2[C@](C3C(C(C(=C)CC3)CCC(O)=CC(=O)C)(C)CC2)(C)CC1)(C)C)C
Metabolite of Species Details
Neosartorya (NCBI:txid36629) See: PubMed
ChEBI Ontology
Outgoing Sartorenol (CHEBI:219457) is a diterpenoid (CHEBI:23849)
IUPAC Name
[(2S,4aR,10aR)-8-(3-hydroxy-5-oxohex-3-enyl)-1,1,4a,8a-tetramethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-2-yl] acetate
Manual Xref Database
78445203 ChemSpider
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