CHEBI:203836 - Xylarenone G

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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 Xylarenone G
ChEBI ID CHEBI:203836
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H42O6
Net Charge 0
Average Mass 450.616
Monoisotopic Mass 450.29814
InChI InChI=1S/C26H42O6/c1-7-16(2)10-17(3)12-26(31,15-28)24(30)32-23-9-8-19(5)25(6)13-20(18(4)14-27)22(29)11-21(23)25/h11,13,16-19,23,27-28,31H,7-10,12,14-15H2,1-6H3/t16?,17?,18-,19+,23-,25-,26?/m1/s1
InChIKey BGVIFZCMSUQDTG-JODPSNPRSA-N
SMILES O=C1C(=C[C@@]2([C@H](CC[C@H](C2=C1)OC(=O)C(O)(CO)CC(CC(CC)C)C)C)C)[C@@H](CO)C
Metabolite of Species Details
Camaropsspecies (NCBI:txid1933436) See: PubMed
ChEBI Ontology
Outgoing Xylarenone G (CHEBI:203836) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
[(1R,4S,4aS)-6-[(2S)-1-hydroxypropan-2-yl]-4,4a-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-1-yl] 2-hydroxy-2-(hydroxymethyl)-4,6-dimethyloctanoate
Manual Xref Database
31140454 ChemSpider
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