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CHEBI:205975 - Calcaride C

ChEBI IDCHEBI:205975
ChEBI NameCalcaride C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O15
Net Charge0
Average Mass676.668
Monoisotopic Mass676.23672
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](O)COC(=O)C[C@@H](C)OC2=O
InChIInChI=1S/C33H40O15/c1-16-6-20-10-22(34)12-25(36)30(20)32(41)48-19(4)9-28(39)45-17(2)7-21-11-24(43-5)14-26(37)31(21)33(42)47-18(3)8-27(38)44-15-23(35)13-29(40)46-16/h10-12,14,16-19,23,34-37H,6-9,13,15H2,1-5H3/t16-,17-,18-,19-,23+/m1/s1
InChIKeyHQPUTRDLMKWEQH-HEKOCPBTSA-N
Species of MetaboliteComponentSourceComments
Calcarisporiumspecies KF525 (ncbitaxon:1365951) - PubMed (23994907)
ChEBI Ontology
Outgoing Relation(s)
Calcaride C (CHEBI:205975) has functional parent hexacarboxylic acid (CHEBI:59359)
Calcaride C (CHEBI:205975) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(4R,8R,18R,23S,27R)-14,23,31,33-tetrahydroxy-12-methoxy-4,8,18,27-tetramethyl-3,7,17,21,26-pentaoxatricyclo[27.4.0.010,15]tritriaconta-1(29),10(15),11,13,30,32-hexaene-2,6,16,20,25-pentone
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