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CHEBI:182316 - [(1S,3R,4R,5R,6R,7S,8R,11S,13R,16R,17R,18E)-6-hydroxy-16-(1-hydroxyethyl)-13-methoxy-5,17,19-trimethyl-14-oxo-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-4-yl] 1H-pyrrole-2-carboxylate

ChEBI IDCHEBI:182316
ChEBI Name[(1S,3R,4R,5R,6R,7S,8R,11S,13R,16R,17R,18E)-6-hydroxy-16-(1-hydroxyethyl)-13-methoxy-5,17,19-trimethyl-14-oxo-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-4-yl] 1H-pyrrole-2-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H37NO8
Net Charge0
Average Mass515.603
Monoisotopic Mass515.25192
SMILES[H][C@]12C=C[C@]3([H])C[C@@H](OC)C(=O)O[C@@H](C(C)O)[C@H](C)/C=C(\C)[C@]34O[C@@]1([H])[C@H](OC(=O)c1cccn1)[C@H](C)[C@@H](O)[C@]24[H]
InChIInChI=1S/C28H37NO8/c1-13-11-14(2)28-17(12-20(34-5)27(33)35-23(13)16(4)30)8-9-18-21(28)22(31)15(3)24(25(18)37-28)36-26(32)19-7-6-10-29-19/h6-11,13,15-18,20-25,29-31H,12H2,1-5H3/b14-11+/t13-,15-,16?,17-,18-,20-,21+,22-,23-,24-,25-,28+/m1/s1
InChIKeyYEUSSARNQQYBKH-WKWMBFKWSA-N
ChEBI Ontology
Outgoing Relation(s)
[(1S,3R,4R,5R,6R,7S,8R,11S,13R,16R,17R,18E)-6-hydroxy-16-(1-hydroxyethyl)-13-methoxy-5,17,19-trimethyl-14-oxo-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-4-yl] 1H-pyrrole-2-carboxylate (CHEBI:182316) is a pyrroles (CHEBI:26455)
IUPAC Name 
[(1S,3R,4R,5R,6R,7S,8R,11S,13R,16R,17R,18E)-6-hydroxy-16-(1-hydroxyethyl)-13-methoxy-5,17,19-trimethyl-14-oxo-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-4-yl] 1H-pyrrole-2-carboxylate
Manual XrefsDatabases
58818102ChemSpider
Registry NumbersSources
CAS:70695-02-2ChemIDplus