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CHEBI:202661 - 2-hydroxytorularhodin

ChEBI IDCHEBI:202661
ChEBI Name2-hydroxytorularhodin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H52O3
Net Charge0
Average Mass580.853
Monoisotopic Mass580.39165
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)C(=O)O)C(C)(C)[C@H](O)CC1
InChIInChI=1S/C40H52O3/c1-30(18-12-20-32(3)21-13-22-33(4)24-15-25-36(7)39(42)43)16-10-11-17-31(2)19-14-23-34(5)26-28-37-35(6)27-29-38(41)40(37,8)9/h10-26,28,38,41H,27,29H2,1-9H3,(H,42,43)/b11-10+,18-12+,19-14+,21-13+,24-15+,28-26+,30-16+,31-17+,32-20+,33-22+,34-23+,36-25+/t38-/m1/s1
InChIKeyRLLMPIRJCIILLC-GAUCEYMTSA-N
Species of MetaboliteComponentSourceComments
Symmetrospora coprosmae (ncbitaxon:69976) - DOI (10.1002/hlca.200590239)
ChEBI Ontology
Outgoing Relation(s)
2-hydroxytorularhodin (CHEBI:202661) is a xanthophyll (CHEBI:27325)
IUPAC Name 
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-25-[(5R)-5-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-2,6,10,14,19,23-hexamethylpentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoic acid
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28283129ChemSpider