olivin (CHEBI:52512)

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CHEBI:52512 - olivin

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ChEBI ID	CHEBI:52512
ChEBI Name	olivin
Stars
Last Modified	9 March 2020
Submitter	Colin Batchelor
Downloads	Molfile

Formula	C20H22O9
Net Charge	0
Average Mass	406.387
Monoisotopic Mass	406.12638
SMILES	[H][C@@]1([C@H](OC)C(=O)[C@@H](O)[C@@H](C)O)Cc2cc3cc(O)cc(O)c3c(O)c2C(=O)[C@H]1O
InChI	InChI=1S/C20H22O9/c1-7(21)15(24)19(28)20(29-2)11-5-9-3-8-4-10(22)6-12(23)13(8)17(26)14(9)18(27)16(11)25/h3-4,6-7,11,15-16,20-26H,5H2,1-2H3/t7-,11-,15+,16+,20+/m1/s1
InChIKey	PIHTXGRVQBTVRE-KFYAXVMHSA-N

Roles Classification

Biological Role:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	olivin (CHEBI:52512) has role metabolite (CHEBI:25212)
	olivin (CHEBI:52512) is a anthracenone (CHEBI:146281)
	olivin (CHEBI:52512) is a decaketide (CHEBI:48128)
	olivin (CHEBI:52512) is a secondary α-hydroxy ketone (CHEBI:2468)

IUPAC Name
(1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose

Registry Numbers	Sources
Beilstein:2067481	Beilstein
CAS:6680-06-4	ChemIDplus