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CHEBI:221924 - Phthoramycin

ChEBI IDCHEBI:221924
ChEBI NamePhthoramycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H68O12
Net Charge0
Average Mass740.972
Monoisotopic Mass740.47108
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[C@@H](O)[C@](C)(O)CCC/C=C\[C@@H]3C[C@H](C)CO[C@]3(O)C[C@@H](O2)[C@H]1C
InChIInChI=1S/C40H68O12/c1-8-29(41)19-31-25(3)13-17-39(51-31)21-32-27(5)33(52-39)22-40(48)28(18-24(2)23-49-40)12-10-9-11-15-37(6,46)34(43)20-30(42)26(4)36(45)38(7,47)16-14-35(44)50-32/h10,12,14,16,24-34,36,41-43,45-48H,8-9,11,13,15,17-23H2,1-7H3/b12-10-,16-14+/t24-,25-,26+,27-,28+,29+,30+,31-,32+,33+,34+,36+,37+,38-,39+,40+/m0/s1
InChIKeyBNVZCZJOQPRHLO-GPQMWAJWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3209482)
ChEBI Ontology
Outgoing Relation(s)
Phthoramycin (CHEBI:221924) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,3R,5'S,6S,6'S,8S,9Z,14R,15R,17R,18R,19R,20S,21E,25R,27R,29R)-3,14,15,17,19,20-hexahydroxy-6'-[(2R)-2-hydroxybutyl]-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
78442965ChemSpider