CHEBI:213021 - Micromonospolide C

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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 Micromonospolide C
ChEBI ID CHEBI:213021
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H56O8
Net Charge 0
Average Mass 628.847
Monoisotopic Mass 628.39752
InChI InChI=1S/C37H56O8/c1-11-12-13-16-30(38)25(4)18-19-31(39)28(7)35(41)29(8)36-32(43-9)17-14-15-23(2)20-26(5)34(40)27(6)21-24(3)22-33(44-10)37(42)45-36/h11-19,21-22,25-30,32,34-36,38,40-41H,20H2,1-10H3/b12-11+,16-13+,17-14+,19-18+,23-15+,24-21+,33-22-/t25?,26-,27+,28+,29-,30?,32-,34-,35-,36+/m0/s1
InChIKey VCXZNDFZPMEAMI-FJYIWIBXSA-N
SMILES O=C1O[C@@H]([C@@H](OC)C=CC=C(C[C@@H]([C@@H]([C@@H](C=C(C=C1OC)C)C)O)C)C)[C@H]([C@@H](O)[C@@H](C(=O)/C=C/C(C(O)/C=C/C=C/C)C)C)C
Metabolite of Species Details
Micromonosporaspecies (NCBI:txid1876) See: DOI
ChEBI Ontology
Outgoing Micromonospolide C (CHEBI:213021) is a macrolide (CHEBI:25106)
IUPAC Name
(3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(2S,3R,4S,6E,10E,12E)-3,9-dihydroxy-4,8-dimethyl-5-oxotetradeca-6,10,12-trien-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
Manual Xref Database
10215819 ChemSpider
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