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CHEBI:185154 - 6'-Hydroxysiphonaxanthin ester/ 6'-Hydroxysiphonaxanthin dodecenoate/ 6'-Hydroxysiphonaxanthin 19-(trans-delta2-dodecenoate)

ChEBI IDCHEBI:185154
ChEBI Name6'-Hydroxysiphonaxanthin ester/ 6'-Hydroxysiphonaxanthin dodecenoate/ 6'-Hydroxysiphonaxanthin 19-(trans-delta2-dodecenoate)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H80O6
Net Charge0
Average Mass813.217
Monoisotopic Mass812.59549
SMILESCCCCCCCCCCCCC(=O)OC/C(=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1(O)C(C)=C[C@H](O)CC1(C)C)C(=O)CC1=C(C)C[C@@H](O)CC1(C)C
InChIInChI=1S/C53H80O6/c1-11-12-13-14-15-16-17-18-19-20-31-50(57)59-39-45(49(56)36-48-43(5)34-46(54)37-51(48,7)8)30-24-29-41(3)26-22-21-25-40(2)27-23-28-42(4)32-33-53(58)44(6)35-47(55)38-52(53,9)10/h21-30,32-33,35,46-47,54-55,58H,11-20,31,34,36-39H2,1-10H3/b22-21+,27-23+,29-24+,33-32+,40-25+,41-26+,42-28+,45-30+/t46-,47+,53?/m1/s1
InChIKeyFZUKKDKRGHPYJO-YNSHQUCZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
6'-Hydroxysiphonaxanthin ester/ 6'-Hydroxysiphonaxanthin dodecenoate/ 6'-Hydroxysiphonaxanthin 19-(trans-delta2-dodecenoate) (CHEBI:185154) is a xanthophyll (CHEBI:27325)
IUPAC Name 
[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(4R)-1,4-dihydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-2-[2-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]acetyl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaenyl] tridecanoate
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17220969ChemSpider
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