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CHEBI:219763 - Sporolide A

ChEBI IDCHEBI:219763
ChEBI NameSporolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H23ClO12
Net Charge0
Average Mass538.889
Monoisotopic Mass538.08780
SMILESCO[C@H]1C(=O)OC[C@H](O)c2ccc3c(c2Cl)C24O[C@]5(O)C(=C(C)C(=O)[C@@]16O[C@H]65)OC2([C@H](O)C[C@H]4O)[C@@H]3O
InChIInChI=1S/C24H23ClO12/c1-7-15(29)21-18(33-2)19(31)34-6-10(26)8-3-4-9-13(14(8)25)22-11(27)5-12(28)23(22,16(9)30)35-17(7)24(32,37-22)20(21)36-21/h3-4,10-12,16,18,20,26-28,30,32H,5-6H2,1-2H3/t10-,11+,12+,16+,18-,20+,21+,22?,23?,24+/m0/s1
InChIKeyKFIMJAYNUYNRLK-PKIZEOIBSA-N
Species of MetaboliteComponentSourceComments
Salinispora tropica (ncbitaxon:168695) - PubMed (15957933)
ChEBI Ontology
Outgoing Relation(s)
Sporolide A (CHEBI:219763) is a macrolide (CHEBI:25106)
IUPAC Name 
(3S,7S,8R,12R,17R,19R,21R,25R)-23-chloro-3,12,17,19,21-pentahydroxy-8-methoxy-5-methyl-2,10,24,26-tetraoxaheptacyclo[11.8.2.27,7.14,18.01,18.016,22.03,25]hexacosa-4,13(23),14,16(22)-tetraene-6,9-dione