CHEBI:192911 - Lagaspholones 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 Lagaspholones A
ChEBI ID CHEBI:192911
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28O3
Net Charge 0
Average Mass 316.441
Monoisotopic Mass 316.20384
InChI InChI=1S/C20H28O3/c1-9-6-7-12-15(19(12,3)4)16-13(9)14-11(8-10(2)17(14)21)18(22)20(16,5)23/h10,12-13,15-16,18,22-23H,1,6-8H2,2-5H3/t10-,12-,13+,15-,16+,18+,20+/m0/s1
InChIKey DUFLULHNEVXHJR-MTCSHUKASA-N
SMILES O[C@@]1([C@]2([C@]3(C([C@]3(CCC([C@@]2(C4=C([C@H]1O)C[C@@H](C4=O)C)[H])=C)[H])(C)C)[H])[H])C
Metabolite of Species Details
Cryptomeria (NCBI:txid3368) Found in needle (BTO:0000917). of strain Cryptomeria fortunei Hooibrenk See: MetaboLights Study
ChEBI Ontology
Outgoing Lagaspholones A (CHEBI:192911) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1R,4S,7R,8R,9S,10S,12S)-7,8-dihydroxy-4,8,11,11-tetramethyl-15-methylidenetetracyclo[7.6.0.02,6.010,12]pentadec-2(6)-en-3-one
Manual Xref Database
24846812 ChemSpider
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