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CHEBI:229576 - subrutilene H

ChEBI IDCHEBI:229576
ChEBI Namesubrutilene H
Stars
DefinitionA sesterterpene produced in the bacterium Streptomyces subrutilus.
Last Modified12 February 2024
SubmitterMartin Engst
DownloadsMolfile
FormulaC25H40
Net Charge0
Average Mass340.595
Monoisotopic Mass340.31300
SMILES[H][C@]12C[C@@]3([H])C(=CCC3(C)C)[C@@]1([H])C[C@@]1(C)CC[C@]3(C)CC[C@H](C(C)C)[C@@]3([H])[C@@]12[H]
InChIInChI=1S/C25H40/c1-15(2)16-8-10-24(5)11-12-25(6)14-19-17-7-9-23(3,4)20(17)13-18(19)22(25)21(16)24/h7,15-16,18-22H,8-14H2,1-6H3/t16-,18+,19-,20+,21+,22+,24+,25-/m1/s1
InChIKeyDAIILQVWBXTWSW-CONLPTEBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces subrutilus (ncbitaxon:36818) - PubMed (37846897)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
subrutilene H (CHEBI:229576) has role bacterial metabolite (CHEBI:76969)
subrutilene H (CHEBI:229576) is a carbopentacyclic compound (CHEBI:177356)
subrutilene H (CHEBI:229576) is a polycyclic olefin (CHEBI:35714)
subrutilene H (CHEBI:229576) is a sesterterpene (CHEBI:35192)
IUPAC Name 
(1R,3aS,5aR,6aS,9aR,10aS,10bS,10cS)-3a,5a,9,9-tetramethyl-1-(propan-2-yl)-1,2,3,3a,4,5,5a,6,6a,8,9,9a,10,10a,10b,10c-hexadecahydropentaleno[2,1-a]-as-indacene
Citations