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CHEBI:216544 - Deplelide B

ChEBI IDCHEBI:216544
ChEBI NameDeplelide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC73H116O27S
Net Charge0
Average Mass1457.771
Monoisotopic Mass1456.74247
SMILESCC[C@H](O[C@H]1C[C@@H](OC(=O)[C@H](CC)[C@H](O)c2ccc3c(c2)C(=O)C=C(C)C3=O)[C@H](OC)[C@@H](C)O1)[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)C=C[C@H](C)[C@H](O)C[C@H](O)CCC[C@@H](C)CC[C@@H](C)[C@H](O)C(=O)[C@]2(O)O[C@H](C[C@H](O)C[C@@H](O)C[C@@H](O)CCCC(O)[C@@H]3O[C@H]3[C@@H]1C)C[C@H](S(=O)(=O)O)[C@H]2O
InChIInChI=1S/C73H116O27S/c1-13-50(65(86)44-24-25-51-52(28-44)55(80)27-38(6)61(51)82)72(89)97-57-34-60(95-43(11)68(57)94-12)96-56(14-2)39(7)63(84)40(8)64(85)41(9)66-42(10)67-69(99-67)53(78)20-16-19-45(74)29-47(76)30-48(77)31-49-33-58(101(91,92)93)70(87)73(90,100-49)71(88)62(83)37(5)22-21-35(3)17-15-18-46(75)32-54(79)36(4)23-26-59(81)98-66/h23-28,35-37,39-43,45-50,53-54,56-58,60,62-70,74-79,83-87,90H,13-22,29-34H2,1-12H3,(H,91,92,93)/t35-,36+,37-,39+,40-,41+,42-,43-,45+,46-,47+,48-,49-,50-,53?,54-,56+,57-,58+,60+,62+,63+,64+,65-,66-,67+,68-,69+,70-,73-/m1/s1
InChIKeyJZFWRXACOABOMG-QVKDFZCPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28786681)
ChEBI Ontology
Outgoing Relation(s)
Deplelide B (CHEBI:216544) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,3R,5S,7S,12S,14S,15R,16R,21S,22R,24R,28R,31R,32S,34R,35S,36S)-16-[(2S,3S,4R,5R,6R,7S)-3,5-dihydroxy-7-[(2R,4R,5R,6R)-4-[(2R)-2-[(S)-hydroxy-(6-methyl-5,8-dioxonaphthalen-2-yl)methyl]butanoyl]oxy-5-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethylnonan-2-yl]-3,5,7,11,22,24,32,34,35-nonahydroxy-15,21,28,31-tetramethyl-18,33-dioxo-13,17,38-trioxatricyclo[32.3.1.012,14]octatriacont-19-ene-36-sulonic acid