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CHEBI:215597 - Concanamycin D

ChEBI IDCHEBI:215597
ChEBI NameConcanamycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H72O13
Net Charge0
Average Mass809.047
Monoisotopic Mass808.49729
SMILESC/C=C/[C@H]1O[C@@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C\C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@H](C)C/C(C)=C\C=C/[C@@H]2OC)C[C@@H](OC2CC(O)C(O)C(C)O2)[C@@H]1C
InChIInChI=1S/C44H72O13/c1-13-15-33-27(6)36(55-37-21-32(45)41(49)31(10)54-37)22-44(51,57-33)30(9)40(48)29(8)42-34(52-11)17-14-16-23(2)18-25(4)38(46)28(7)39(47)26(5)19-24(3)20-35(53-12)43(50)56-42/h13-17,19-20,25-34,36-42,45-49,51H,18,21-22H2,1-12H3/b15-13+,17-14-,23-16-,24-19-,35-20+/t25-,26-,27-,28+,29+,30+,31?,32?,33-,34+,36-,37?,38+,39-,40-,41?,42-,44-/m1/s1
InChIKeyMTLOJNVKXXZIBC-YEKUWCNWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (1517155)
ChEBI Ontology
Outgoing Relation(s)
Concanamycin D (CHEBI:215597) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5Z,7R,8R,9S,10S,11R,13Z,15Z,17S,18R)-18-[(2S,3R,4S)-4-[(2R,4R,5S,6R)-4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3-hydroxypentan-2-yl]-8,10-dihydroxy-3,17-dimethoxy-5,7,9,11,13-pentamethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one
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78445191ChemSpider