CHEBI:218421 - Trinulactone A

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ChEBI Name Trinulactone A
ChEBI ID CHEBI:218421
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H36O5
Net Charge 0
Average Mass 404.547
Monoisotopic Mass 404.25627
InChI InChI=1S/C24H36O5/c1-13-7-8-15-23(4)12-10-16(25)22(2,3)14(23)9-11-24(15,5)18(13)17-19(26)20(27)29-21(17)28-6/h7,14-16,18,21,25-26H,8-12H2,1-6H3/t14-,15+,16-,18+,21-,23-,24-/m0/s1
InChIKey ALFSVHZILAQVLH-COKWIYGLSA-N
SMILES O=C1O[C@H](OC)C(=C1O)[C@H]2C(=CC[C@H]3[C@@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
ChEBI Ontology
Outgoing Trinulactone A (CHEBI:218421) is a diterpene lactone (CHEBI:49193)
IUPAC Name
(2S)-3-[(1S,4aR,4bR,7S,8aR,10aS)-7-hydroxy-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]-4-hydroxy-2-methoxy-2H-uran-5-one