CHEBI:212156 - Marinomycin D

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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 Marinomycin D
ChEBI ID CHEBI:212156
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C59H78O14
Net Charge 0
Average Mass 1011.259
Monoisotopic Mass 1010.53916
InChI InChI=1S/C59H78O14/c1-5-45(61)37-53-39-49(65)29-19-27-47(63)36-51(67)33-41(3)20-12-8-6-10-14-22-43-24-16-30-54(68)56(43)58(70)72-52(34-42(4)60)38-48(64)28-18-26-46(62)35-50(66)32-40(2)21-13-9-7-11-15-23-44-25-17-31-55(69)57(44)59(71)73-53/h6-27,30-31,42,45-53,60-69H,5,28-29,32-39H2,1-4H3/t42-,45-,46-,47-,48+,49+,50+,51+,52+,53+/m1/s1
InChIKey VKKOVWWTIIRQQA-RJCVZUPRSA-N
SMILES O=C1O[C@H](C[C@@H](O)CC=C[C@@H](O)C[C@@H](O)CC(=CC=CC=CC=CC2=C(C(=O)O[C@H](C[C@H](CC=C[C@H](C[C@H](CC(=CC=CC=CC=CC=3C1=C(O)C=CC3)C)O)O)O)C[C@H](O)C)C(O)=CC=C2)C)C[C@H](O)CC
Metabolite of Species Details
Marinispora (NCBI:txid2926447) See: PubMed
ChEBI Ontology
Outgoing Marinomycin D (CHEBI:212156) is a phenols (CHEBI:33853)
IUPAC Name
(4S,6S,10S,12S,30S,32S,36S,38S)-6,10,12,26,32,36,38,52-octahydroxy-4-[(2R)-2-hydroxybutyl]-30-[(2R)-2-hydroxypropyl]-14,40-dimethyl-3,29-dioxatricyclo[46.4.0.022,27]dopentaconta-1(48),8,14,16,18,20,22(27),23,25,34,40,42,44,46,49,51-hexadecaene-2,28-dione