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CHEBI:202624 - Cytovaricin B

ChEBI IDCHEBI:202624
ChEBI NameCytovaricin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H82O16
Net Charge0
Average Mass915.168
Monoisotopic Mass914.56029
SMILESCC[C@@H](O)C[C@@H]1O[C@@]2(CC[C@@H]1C)C[C@@H]1OC(=O)/C=C\[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@H](O[C@H]3CC(OC)[C@H](O)C(C)O3)[C@@H](O)[C@](C)(O)CCC/C=C\[C@@H]3C[C@H](C)CO[C@@]3(OC)C[C@H](O2)[C@H]1C
InChIInChI=1S/C48H82O16/c1-11-33(49)22-34-28(3)16-20-47(63-34)24-36-29(4)37(64-47)25-48(58-10)32(21-27(2)26-59-48)15-13-12-14-18-45(7,55)44(54)42(62-39-23-35(57-9)41(52)31(6)60-39)40(51)30(5)43(53)46(8,56)19-17-38(50)61-36/h13,15,17,19,27-37,39-44,49,51-56H,11-12,14,16,18,20-26H2,1-10H3/b15-13-,19-17-/t27-,28-,29-,30+,31?,32+,33+,34-,35?,36-,37-,39-,40+,41+,42-,43-,44+,45+,46+,47+,48-/m0/s1
InChIKeyLJKNWVYWRGRCGM-VXJSJQLSSA-N
Species of MetaboliteComponentSourceComments
Streptomyces torulosus (ncbitaxon:68276) - PubMed (9207915)
ChEBI Ontology
Outgoing Relation(s)
Cytovaricin B (CHEBI:202624) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,3S,5'S,6S,6'S,8S,9Z,14R,15R,16S,17R,18R,19S,20R,21Z,25S,27R,29R)-14,15,17,19,20-pentahydroxy-6'-[(2R)-2-hydroxybutyl]-16-[(2S,5R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3-methoxy-5',6,14,18,20,29-hexamethylspiro[4,24,28-trioxatricyclo[23.3.1.03,8]nonacosa-9,21-diene-27,2'-oxane]-23-one
Manual XrefsDatabases
78436899ChemSpider