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CHEBI:216539 - Deplelide A

ChEBI IDCHEBI:216539
ChEBI NameDeplelide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC72H114O27S
Net Charge0
Average Mass1443.744
Monoisotopic Mass1442.72682
SMILESCC[C@H](O[C@H]1C[C@@H](OC(=O)[C@H](C)[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/C72H114O27S/c1-13-55(95-59-33-56(67(93-12)43(11)94-59)96-71(88)41(9)64(85)44-23-24-50-51(27-44)54(79)26-37(5)60(50)81)38(6)62(83)39(7)63(84)40(8)65-42(10)66-68(98-66)52(77)19-15-18-45(73)28-47(75)29-48(76)30-49-32-57(100(90,91)92)69(86)72(89,99-49)70(87)61(82)36(4)21-20-34(2)16-14-17-46(74)31-53(78)35(3)22-25-58(80)97-65/h22-27,34-36,38-43,45-49,52-53,55-57,59,61-69,73-78,82-86,89H,13-21,28-33H2,1-12H3,(H,90,91,92)/t34-,35+,36-,38+,39-,40+,41-,42-,43-,45+,46-,47+,48-,49-,52?,53-,55+,56-,57+,59+,61+,62+,63+,64+,65-,66+,67-,68+,69-,72-/m1/s1
InChIKeyCZESJZSNYKFZFV-HNDDIFJPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28786681)
ChEBI Ontology
Outgoing Relation(s)
Deplelide A (CHEBI:216539) 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,3S)-3-hydroxy-2-methyl-3-(6-methyl-5,8-dioxonaphthalen-2-yl)propanoyl]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