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CHEBI:214659 - Calcaride A

ChEBI IDCHEBI:214659
ChEBI NameCalcaride A
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DownloadsMolfile
FormulaC33H40O14
Net Charge0
Average Mass660.669
Monoisotopic Mass660.24181
SMILESCOc1cc(O)c2c(c1)C[C@@H](C)OC(=O)C[C@@H](C)OC(=O)c1c(O)cc(O)cc1C[C@@H](C)OC(=O)C[C@@H](C)OC(=O)C[C@@H](C)OC2=O
InChIInChI=1S/C33H40O14/c1-16-7-21-12-23(34)14-25(35)30(21)32(40)46-19(4)10-28(38)44-17(2)8-22-13-24(42-6)15-26(36)31(22)33(41)47-20(5)11-29(39)45-18(3)9-27(37)43-16/h12-20,34-36H,7-11H2,1-6H3/t16-,17-,18-,19-,20-/m1/s1
InChIKeyVGERWXRJUJRYBA-LASHMREHSA-N
Species of MetaboliteComponentSourceComments
Calcarisporiumspecies KF525 (ncbitaxon:1365951) - PubMed (23994907)
ChEBI Ontology
Outgoing Relation(s)
Calcaride A (CHEBI:214659) has functional parent hexacarboxylic acid (CHEBI:59359)
Calcaride A (CHEBI:214659) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(4R,8R,18R,22R,26R)-14,30,32-trihydroxy-12-methoxy-4,8,18,22,26-pentamethyl-3,7,17,21,25-pentaoxatricyclo[26.4.0.010,15]dotriaconta-1(28),10(15),11,13,29,31-hexaene-2,6,16,20,24-pentone
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30771339ChemSpider