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CHEBI:208913 - Filipin I

ChEBI IDCHEBI:208913
ChEBI NameFilipin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H58O9
Net Charge0
Average Mass622.840
Monoisotopic Mass622.40808
SMILESCCCCCCC1CCC(O)CC(O)CC(O)CC(O)CC(O)CC(O)/C(C)=C\C=C/C=C\C=C/C=C\[C@H](O)[C@@H](C)OC1=O
InChIInChI=1S/C35H58O9/c1-4-5-6-13-16-27-18-19-28(36)20-29(37)21-30(38)22-31(39)23-32(40)24-34(42)25(2)15-12-10-8-7-9-11-14-17-33(41)26(3)44-35(27)43/h7-12,14-15,17,26-34,36-42H,4-6,13,16,18-24H2,1-3H3/b8-7-,11-9-,12-10-,17-14-,25-15-/t26-,27?,28?,29?,30?,31?,32?,33+,34?/m1/s1
InChIKeyNCASPJXONCITPG-RMVWCWMFSA-N
Species of MetaboliteComponentSourceComments
Streptomyces filipinensis (ncbitaxon:66887) - PubMed (5453318)
ChEBI Ontology
Outgoing Relation(s)
Filipin I (CHEBI:208913) is a macrolide (CHEBI:25106)
IUPAC Name 
(17Z,19Z,21Z,23Z,25Z,27S,28R)-3-hexyl-6,8,10,12,14,16,27-heptahydroxy-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
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78445450ChemSpider