CHEBI:202786 - Eryloside W

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Eryloside W
ChEBI ID CHEBI:202786
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C45H71NO14
Net Charge 0
Average Mass 850.056
Monoisotopic Mass 849.48746
InChI InChI=1S/C45H71NO14/c1-21(2)22(3)10-11-23(4)25-15-19-45(41(55)56)27-12-13-29-42(6,7)30(16-17-43(29,8)26(27)14-18-44(25,45)9)58-40-37(35(52)34(51)36(59-40)38(53)54)60-39-31(46-24(5)48)33(50)32(49)28(20-47)57-39/h21,23,25,28-37,39-40,47,49-52H,3,10-20H2,1-2,4-9H3,(H,46,48)(H,53,54)(H,55,56)/t23-,25-,28-,29+,30+,31-,32-,33-,34+,35+,36+,37-,39+,40-,43-,44-,45+/m1/s1
InChIKey CJRHQSVFLRQTFX-ONVOSXMSSA-N
SMILES O=C(O)[C@]12C3=C([C@@]4([C@H](C([C@@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]5O[C@@H]6O[C@@H]([C@@H](O)[C@@H]([C@H]6NC(=O)C)O)CO)O)CC4)(C)C)CC3)C)CC[C@@]1([C@@H]([C@@H](CCC(=C)C(C)C)C)CC2)C
Metabolite of Species Details
Dictyonella marsilii (NCBI:txid3031421) See: DOI
ChEBI Ontology
Outgoing Eryloside W (CHEBI:202786) is a steroid glucosiduronic acid (CHEBI:26763)
IUPAC Name
(2S,3S,4S,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3S,5R,10S,13R,14S,17R)-14-carboxy-4,4,10,13-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4-dihydroxyoxane-2-carboxylic acid
Manual Xref Database
40256880 ChemSpider
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