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CHEBI:204081 - Sporolide B

ChEBI IDCHEBI:204081
ChEBI NameSporolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H23ClO12
Net Charge0
Average Mass538.889
Monoisotopic Mass538.08780
SMILESCO[C@H]1C(=O)OC[C@H](O)c2cc(Cl)c3c(c2)[C@@]24O[C@]5(O)C(=C(C)C(=O)[C@]16O[C@H]65)O[C@@]2([C@H](O)C[C@H]4O)[C@@H]3O
InChIInChI=1S/C24H23ClO12/c1-7-15(29)21-18(33-2)19(31)34-6-11(26)8-3-9-14(10(25)4-8)16(30)23-13(28)5-12(27)22(9,23)37-24(32,17(7)35-23)20(21)36-21/h3-4,11-13,16,18,20,26-28,30,32H,5-6H2,1-2H3/t11-,12+,13+,16+,18-,20+,21-,22-,23-,24+/m0/s1
InChIKeyCYXHIOKLZVVCBQ-LCCPHMJJSA-N
Species of MetaboliteComponentSourceComments
Salinispora tropica (ncbitaxon:168695) - PubMed (15957933)
ChEBI Ontology
Outgoing Relation(s)
Sporolide B (CHEBI:204081) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,3S,7R,8R,12R,17R,18S,19R,21R,25R)-15-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