Sibiricose A5 (CHEBI:189459)

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CHEBI:189459 - Sibiricose A5

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ChEBI ID	CHEBI:189459
ChEBI Name	Sibiricose A5
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H30O14
Net Charge	0
Average Mass	518.468
Monoisotopic Mass	518.16356
SMILES	COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
InChI	InChI=1S/C22H30O14/c1-32-12-6-10(2-4-11(12)26)3-5-15(27)34-20-17(29)14(8-24)35-22(20,9-25)36-21-19(31)18(30)16(28)13(7-23)33-21/h2-6,13-14,16-21,23-26,28-31H,7-9H2,1H3/b5-3+/t13-,14-,16-,17-,18+,19-,20+,21-,22+/m1/s1
InChIKey	ZPEADZHVGOCGKH-YQTDNFGYSA-N

Species of Metabolite	Component	Source	Comments
Oryza sativa (ncbitaxon:4530)	leaf sheath (BTO:0005094)	MetaboLights (MTBLS3518)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Sibiricose A5 (CHEBI:189459) is a hydroxycinnamic acid (CHEBI:24689)

IUPAC Name
[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Manual Xrefs	Databases
4885193	ChemSpider