(2R,3S,3′R)-2-hydroxyadonixanthin (CHEBI:215921)

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CHEBI:215921 - (2R,3S,3′R)-2-hydroxyadonixanthin

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ChEBI ID	CHEBI:215921
ChEBI Name	(2R,3S,3′R)-2-hydroxyadonixanthin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C40H54O4
Net Charge	0
Average Mass	598.868
Monoisotopic Mass	598.40221
SMILES	CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)[C@H](O)C2(C)C)C(C)(C)C[C@H](O)C1
InChI	InChI=1S/C40H54O4/c1-27(17-13-19-29(3)21-23-34-31(5)25-33(41)26-39(34,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-35-32(6)36(42)37(43)38(44)40(35,9)10/h11-24,33,37-38,41,43-44H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t33-,37-,38+/m1/s1
InChIKey	GCRJKTDIGQEUQY-RVIZCKFJSA-N

Species of Metabolite	Component	Source	Comments
Pseudomonas (ncbitaxon:286)	-	PubMed (27299394)

ChEBI Ontology

Outgoing Relation(s)
	(2R,3S,3′R)-2-hydroxyadonixanthin (CHEBI:215921) is a xanthophyll (CHEBI:27325)

IUPAC Name
(5R,6S)-5,6-dihydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one

Manual Xrefs	Databases
59700148	ChemSpider