CHEBI:227028 - Sartorypyrone 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 Sartorypyrone C
ChEBI ID CHEBI:227028
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H38O4
Net Charge 0
Average Mass 414.586
Monoisotopic Mass 414.27701
InChI InChI=1S/C26H38O4/c1-15-7-8-21-25(5,18(15)14-17-19(27)13-16(2)30-23(17)29)11-9-20-24(3,4)22(28)10-12-26(20,21)6/h13,20-22,27-28H,7-12,14H2,1-6H3/t20-,21-,22-,25-,26-/m0/s1
InChIKey PGQIYFXKLHRAJW-GIDZJRPFSA-N
SMILES O=C1OC(=CC(=C1CC2=C(CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)O)C
Metabolite of Species Details
Neosartorya (NCBI:txid36629) See: PubMed
ChEBI Ontology
Outgoing Sartorypyrone C (CHEBI:227028) is a diterpene lactone (CHEBI:49193)
IUPAC Name
3-[[(4aR,4bR,7S,8aR,10aR)-7-hydroxy-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-1-yl]methyl]-4-hydroxy-6-methylpyran-2-one
Manual Xref Database
32674761 ChemSpider
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