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CHEBI:224809 - Formicolide A

ChEBI IDCHEBI:224809
ChEBI NameFormicolide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H48O8
Net Charge0
Average Mass572.739
Monoisotopic Mass572.33492
SMILESCCC[C@]1(O)C[C@H](O)[C@@H](C)[C@H]([C@H](C)[C@@H]2C/C=C/C=C/[C@H](O)C(=O)/C(C)=C/C=C/C(C)=C/[C@@H](O)/C(C)=C/CC(=O)O2)O1
InChIInChI=1S/C33H48O8/c1-7-18-33(39)20-28(36)24(5)32(41-33)25(6)29-15-10-8-9-14-26(34)31(38)23(4)13-11-12-21(2)19-27(35)22(3)16-17-30(37)40-29/h8-14,16,19,24-29,32,34-36,39H,7,15,17-18,20H2,1-6H3/b10-8+,12-11+,14-9+,21-19+,22-16+,23-13+/t24-,25-,26+,27-,28+,29+,32-,33-/m1/s1
InChIKeyVBMHBEBBOYSDHS-UCXQCCCXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32892623)
ChEBI Ontology
Outgoing Relation(s)
Formicolide A (CHEBI:224809) is a macrolide (CHEBI:25106)
IUPAC Name 
(4E,6R,7E,9E,11E,14S,15E,17E,20S)-20-[(1R)-1-[(2R,3R,4S,6R)-4,6-dihydroxy-3-methyl-6-propyloxan-2-yl]ethyl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacycloicosa-4,7,9,11,15,17-hexaene-2,13-dione
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113386012ChemSpider