Sesquiterpenoid 2 (CHEBI:215676)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215676 - Sesquiterpenoid 2

Take structure to advanced search

ChEBI ID	CHEBI:215676
ChEBI Name	Sesquiterpenoid 2
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H30O4
Net Charge	0
Average Mass	310.434
Monoisotopic Mass	310.21441
SMILES	C[C@@H]1[C@H]2OC(C)(C)O[C@H]2[C@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(C)O)[C@]1(C)CO
InChI	InChI=1S/C18H30O4/c1-9-11-12-10(17(12,4)8-19)6-7-18(5,20)13(11)15-14(9)21-16(2,3)22-15/h9-15,19-20H,6-8H2,1-5H3/t9-,10+,11-,12+,13+,14+,15-,17-,18+/m0/s1
InChIKey	CQVCJRAFQMGRDD-QWRXTNMYSA-N

Species of Metabolite	Component	Source	Comments
Agrocybe salicacicola (ncbitaxon:1078488)	-	PubMed (20552485)

ChEBI Ontology

Outgoing Relation(s)
	Sesquiterpenoid 2 (CHEBI:215676) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(1R,2S,3S,4R,7R,8R,9S,13R,14S)-3-(hydroxymethyl)-3,7,11,11,14-pentamethyl-10,12-dioxatetracyclo[6.6.0.02,4.09,13]tetradecan-7-ol

Manual Xrefs	Databases
78441346	ChemSpider