Arundinol C (CHEBI:226605)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:226605 - Arundinol C

Take structure to advanced search

ChEBI ID	CHEBI:226605
ChEBI Name	Arundinol C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H26O5
Net Charge	0
Average Mass	310.390
Monoisotopic Mass	310.17802
SMILES	CC(=O)OC[C@](C)(O)[C@H]1CC[C@@]2(C)C(=C(C)C(=O)C[C@@H]2O)C1
InChI	InChI=1S/C17H26O5/c1-10-13-7-12(17(4,21)9-22-11(2)18)5-6-16(13,3)15(20)8-14(10)19/h12,15,20-21H,5-9H2,1-4H3/t12-,15-,16-,17-/m0/s1
InChIKey	RSMPVABNCXYPQH-STECZYCISA-N

Species of Metabolite	Component	Source	Comments
Microsphaeropsis arundinis (ncbitaxon:413604)	-	PubMed (23294378)

ChEBI Ontology

Outgoing Relation(s)
	Arundinol C (CHEBI:226605) is a eudesmane sesquiterpenoid (CHEBI:62508)

IUPAC Name
[(2R)-2-[(2S,4aS,5S)-5-hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-2-yl]-2-hydroxypropyl] acetate

Manual Xrefs	Databases
78437810	ChemSpider