Comnostin D (CHEBI:199747)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:199747 - Comnostin D

Take structure to advanced search

ChEBI ID	CHEBI:199747
ChEBI Name	Comnostin D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H44O5
Net Charge	0
Average Mass	472.666
Monoisotopic Mass	472.31887
SMILES	COC(OC)[C@]1(C)CCC2[C@@]3(C)CC[C@@H](C)[C@@](C)(Cc4cc(C(=O)O)ccc4O)C3CC[C@]21C
InChI	InChI=1S/C29H44O5/c1-18-10-13-26(2)22(27(18,3)17-20-16-19(24(31)32)8-9-21(20)30)11-14-28(4)23(26)12-15-29(28,5)25(33-6)34-7/h8-9,16,18,22-23,25,30H,10-15,17H2,1-7H3,(H,31,32)/t18-,22?,23?,26+,27-,28-,29+/m1/s1
InChIKey	NGZCNRIYOUJSLA-SKPIEEQRSA-N

Species of Metabolite	Component	Source	Comments
Nostoc commune (ncbitaxon:1178)	-	PubMed (10757714)

ChEBI Ontology

Outgoing Relation(s)
	Comnostin D (CHEBI:199747) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
3-[[(3R,3aR,6R,7R,9aS)-3-(dimethoxymethyl)-3,3a,6,7,9a-pentamethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]methyl]-4-hydroxybenzoic acid

Manual Xrefs	Databases
8565518	ChemSpider