10-hydroxyerinacine S (CHEBI:211680)

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CHEBI:211680 - 10-hydroxyerinacine S

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ChEBI ID	CHEBI:211680
ChEBI Name	10-hydroxyerinacine S
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H34O7
Net Charge	0
Average Mass	446.540
Monoisotopic Mass	446.23045
SMILES	CC(C)C1=C2[C@H]3[C@@H](O)CC4=C(O)C(=O)[C@@]5(O)CO[C@H]6O[C@@H]([C@@H]4[C@]65O)[C@]3(C)CC[C@@]2(C)CC1
InChI	InChI=1S/C25H34O7/c1-11(2)12-5-6-22(3)7-8-23(4)17(15(12)22)14(26)9-13-16-20(23)32-21-25(16,30)24(29,10-31-21)19(28)18(13)27/h11,14,16-17,20-21,26-27,29-30H,5-10H2,1-4H3/t14-,16+,17+,20-,21-,22+,23+,24-,25-/m0/s1
InChIKey	MZYPWUICLQBGLO-FLHWULOQSA-N

Species of Metabolite	Component	Source	Comments
Cyathus (ncbitaxon:68776)	-	DOI (10.1016/j.tet.2018.10.012)

ChEBI Ontology

Outgoing Relation(s)
	10-hydroxyerinacine S (CHEBI:211680) is a diterpenoid (CHEBI:23849)

IUPAC Name
(1S,2R,5R,10R,11S,16R,19S,20R,21R)-11,14,16,20-tetrahydroxy-2,5-dimethyl-8-propan-2-yl-18,22-dioxahexacyclo[17.2.1.02,10.05,9.013,21.016,20]docosa-8,13-dien-15-one

Manual Xrefs	Databases
78439210	ChemSpider