CHEBI:219873 - X-14868C

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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 X-14868C
ChEBI ID CHEBI:219873
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C46H78O17
Net Charge 0
Average Mass 903.113
Monoisotopic Mass 902.52390
InChI InChI=1S/C46H78O17/c1-22-17-23(2)44(9,51)60-36(22)30-18-31(57-34-19-29(53-10)39(54-11)27(6)56-34)41(58-30)43(8)14-13-32(59-43)42(7)15-16-45(63-42)20-28(47)24(3)37(61-45)25(4)38-40(55-12)35(50)26(5)46(52,62-38)21-33(48)49/h22-32,34-41,47,50-52H,13-21H2,1-12H3,(H,48,49)/t22-,23+,24+,25+,26-,27-,28-,29-,30+,31-,32+,34+,35-,36-,37-,38-,39-,40+,41+,42-,43-,44-,45+,46+/m0/s1
InChIKey YLJZFEIUUCJGFL-SPDLRFCQSA-N
SMILES O=C(O)C[C@]1(O[C@H]([C@H](OC)[C@H]([C@@H]1C)O)[C@@H]([C@H]2O[C@]3(O[C@@]([C@@H]4O[C@@]([C@@H]5O[C@@H]([C@H]6O[C@](O)([C@H](C)C[C@@H]6C)C)C[C@@H]5O[C@H]7O[C@H]([C@H](OC)[C@H](C7)OC)C)(C)CC4)(C)CC3)C[C@@H]([C@H]2C)O)C)O
Metabolite of Species Details
Nocardiaspecies (NCBI:txid1821) See: PubMed
ChEBI Ontology
Outgoing X-14868C (CHEBI:219873) is a glycoside (CHEBI:24400)
IUPAC Name
2-[(2R,3S,4S,5R,6S)-6-[(1R)-1-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-[(2R,3S,5R)-3-[(2R,4S,5S,6S)-4,5-dimethoxy-6-methyloxan-2-yl]oxy-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-2,4-dihydroxy-5-methoxy-3-methyloxan-2-yl]acetic acid