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

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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
ChEBI ID CHEBI:182316
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C28H37NO8
Net Charge 0
Average Mass 515.603
Monoisotopic Mass 515.25192
InChI InChI=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
InChIKey YEUSSARNQQYBKH-WKWMBFKWSA-N
SMILES O1[C@]23[C@]4([C@]([C@@]1([C@H](OC(=O)C=5NC=CC5)[C@@H]([C@H]4O)C)[H])(C=C[C@@]2(C[C@@H](OC)C(O[C@H]([C@@H](C=C3C)C)C(O)C)=O)[H])[H])[H]
ChEBI Ontology
Outgoing [(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 Xref Database
58818102 ChemSpider
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Registry Number Type Source
70695-02-2 CAS Registry Number ChemIDplus