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CHEBI:132487 - hyrtial

ChEBI IDCHEBI:132487
ChEBI Namehyrtial
Stars
DefinitionA scalarane sesterterpenoid with formula C26H40O3, originally isolated from the marine sponge Hyrtios erecta.
Last Modified13 January 2017
Submittermwilliams
DownloadsMolfile
FormulaC26H40O3
Net Charge0
Average Mass400.603
Monoisotopic Mass400.29775
SMILES[H]C(=O)C1=CC[C@@]2([H])[C@]3(C)CC[C@@]4([H])C(C)(C)CCC[C@]4(C)[C@@]3([H])C[C@@H](OC(C)=O)[C@]2(C)C1
InChIInChI=1S/C26H40O3/c1-17(28)29-22-14-21-24(4)12-7-11-23(2,3)19(24)10-13-25(21,5)20-9-8-18(16-27)15-26(20,22)6/h8,16,19-22H,7,9-15H2,1-6H3/t19-,20-,21+,22+,24-,25-,26+/m0/s1
InChIKeyPTMXVTMFEPDKJQ-GAZMYWJLSA-N
Species of MetaboliteComponentSourceComments
Calanus helgolandicus (ncbitaxon:114068)
- MetaboLights (MTBLS91)
- PubMed (26364855)
Roles Classification
Biological Role:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
hyrtial (CHEBI:132487) has role marine metabolite (CHEBI:76507)
hyrtial (CHEBI:132487) is a acetate ester (CHEBI:47622)
hyrtial (CHEBI:132487) is a enal (CHEBI:51688)
hyrtial (CHEBI:132487) is a scalarane sesterterpenoid (CHEBI:59370)
Synonyms  Source
12β-acetoxy-25-nor-16-scalaren-24-alChEBI
(4aS,4bR,6R,6aR,10aS,10bR,12aS)-8-formyl-1,1,4a,6a,10b-pentamethyl-1,2,3,4,4a,4b,5,6,6a,7,10,10a,10b,11,12,12a-hexadecahydrochrysen-6-yl acetateChEBI
Registry NumbersSources
CAS:97889-56-0ChemIDplus
Citations