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CHEBI:205549 - 1'-(beta-Glucopyranosyloxy) di-O-demethylspirilloxan thin

ChEBI IDCHEBI:205549
ChEBI Name1'-(beta-Glucopyranosyloxy) di-O-demethylspirilloxan thin
Stars
Last Modified30 October 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H66O7
Net Charge0
Average Mass731.027
Monoisotopic Mass730.48085
SMILESCC(/C=C/C=C(C)/C=C/C=C(C)/C=C/CC(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\CC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C46H66O7/c1-34(21-13-23-36(3)25-15-27-38(5)29-17-31-45(7,8)51)19-11-12-20-35(2)22-14-24-37(4)26-16-28-39(6)30-18-32-46(9,10)53-44-43(50)42(49)41(48)40(33-47)52-44/h11-30,40-44,47-51H,31-33H2,1-10H3/b12-11+,21-13+,22-14+,25-15+,26-16+,29-17+,30-18+,34-19+,35-20+,36-23+,37-24+,38-27+,39-28+/t40-,41-,42+,43-,44+/m1/s1
InChIKeyUMLDVSWNTGHKOL-YNQBKWTOSA-N
Species of MetaboliteComponentSourceComments
Polyangium fumosum (ncbitaxon:889272) - DOI (10.1002/jlac.1995199505126)
ChEBI Ontology
Outgoing Relation(s)
1'-(beta-Glucopyranosyloxy) di-O-demethylspirilloxan thin (CHEBI:205549) is a xanthophyll (CHEBI:27325)
IUPAC Name 
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-31-hydroxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaen-2-yl]oxyoxane-3,4,5-triol
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59699951ChemSpider