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CHEBI:204833 - Calcaride B

ChEBI IDCHEBI:204833
ChEBI NameCalcaride B
Stars
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](CO)OC(=O)C[C@@H](C)OC2=O
InChIInChI=1S/C33H40O15/c1-16-6-20-10-22(35)12-25(36)30(20)32(41)46-18(3)8-27(38)44-17(2)7-21-11-23(43-5)13-26(37)31(21)33(42)47-19(4)9-28(39)48-24(15-34)14-29(40)45-16/h10-13,16-19,24,34-37H,6-9,14-15H2,1-5H3/t16-,17-,18-,19-,24+/m1/s1
InChIKeyVUCUKEQDILDEKZ-OPFZOXQFSA-N
Species of MetaboliteComponentSourceComments
Calcarisporiumspecies KF525 (ncbitaxon:1365951) - PubMed (23994907)
ChEBI Ontology
Outgoing Relation(s)
Calcaride B (CHEBI:204833) has functional parent hexacarboxylic acid (CHEBI:59359)
Calcaride B (CHEBI:204833) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(4R,8R,18R,22S,26R)-14,30,32-trihydroxy-22-(hydroxymethyl)-12-methoxy-4,8,18,26-tetramethyl-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
Manual XrefsDatabases
30771340ChemSpider