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CHEBI:204367 - Chaxamycin D

ChEBI IDCHEBI:204367
ChEBI NameChaxamycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H45NO12
Net Charge0
Average Mass683.751
Monoisotopic Mass683.29418
SMILESCC(=O)O[C@H]1[C@@H](C)[C@H](O)/C=C/O[C@]2(C)Oc3c(C)c(O)c4c(c3[C@@H]2O)C(=O)C(C)=C(NC(=O)/C=C\C=C\[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@@H]1C)C4=O
InChIInChI=1S/C36H45NO12/c1-15-11-9-10-12-23(40)37-27-17(3)30(43)24-25(32(27)45)31(44)20(6)34-26(24)35(46)36(8,49-34)47-14-13-22(39)16(2)33(48-21(7)38)19(5)29(42)18(4)28(15)41/h9-16,18-19,22,28-29,33,35,39,41-42,44,46H,1-8H3,(H,37,40)/b11-9+,12-10-,14-13+/t15-,16+,18+,19+,22-,28-,29+,33+,35+,36-/m1/s1
InChIKeyQWIHJIQXNOWSHR-MJYZFZDHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21553813)
ChEBI Ontology
Outgoing Relation(s)
Chaxamycin D (CHEBI:204367) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(6S,7R,9E,11R,12S,13S,14S,15S,16S,17R,18R,19E,21Z)-2,6,11,15,17-pentahydroxy-3,7,12,14,16,18,26-heptamethyl-23,27,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate
Manual XrefsDatabases
78437129ChemSpider