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CHEBI:199063 - (all-E,2R,2'R)-2-(4-hydroxy-3-methylbut-2-enyl)-2'-(3-methylbut-2-enyl)-1',2'-dihydro-beta,psi-caroten-1'-ol

ChEBI IDCHEBI:199063
ChEBI Name(all-E,2R,2'R)-2-(4-hydroxy-3-methylbut-2-enyl)-2'-(3-methylbut-2-enyl)-1',2'-dihydro-beta,psi-caroten-1'-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H74O2
Net Charge0
Average Mass707.140
Monoisotopic Mass706.56888
SMILESCC(C)=CC[C@@H](CC/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/C1=C(C)CC[C@H](C/C=C(\C)CO)C1(C)C)C(C)(C)O
InChIInChI=1S/C50H74O2/c1-38(2)27-32-47(50(12,13)52)34-28-42(6)25-18-24-41(5)23-16-21-39(3)19-14-15-20-40(4)22-17-26-43(7)30-36-48-45(9)31-35-46(49(48,10)11)33-29-44(8)37-51/h14-27,29-30,36,46-47,51-52H,28,31-35,37H2,1-13H3/b15-14+,21-16+,22-17+,24-18+,36-30+,39-19+,40-20+,41-23+,42-25+,43-26+,44-29+/t46-,47-/m0/s1
InChIKeyUOGZNTWAFCMEMT-CRMHKKGUSA-N
Species of MetaboliteComponentSourceComments
Curtobacterium (ncbitaxon:2034) - DOI (10.1002/(sici)1522-2675(20000216)83:2<328::aid-hlca328>3.0.co;2-n)
ChEBI Ontology
Outgoing Relation(s)
(all-E,2R,2'R)-2-(4-hydroxy-3-methylbut-2-enyl)-2'-(3-methylbut-2-enyl)-1',2'-dihydro-beta,psi-caroten-1'-ol (CHEBI:199063) is a xanthophyll (CHEBI:27325)
IUPAC Name 
(3R,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-25-[(5R)-5-[(E)-4-hydroxy-3-methylbut-2-enyl]-2,6,6-trimethylcyclohexen-1-yl]-2,6,10,14,19,23-hexamethyl-3-(3-methylbut-2-enyl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-ol
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