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CHEBI:219336 - Cryptoporic acid K

ChEBI IDCHEBI:219336
ChEBI NameCryptoporic acid K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H62O14
Net Charge0
Average Mass802.955
Monoisotopic Mass802.41396
SMILESC=C1CC[C@H]2[C@@]3(C)CCC[C@]2(C)[C@H]1CO[C@@H](C(=O)OC)[C@H](CC(=O)O)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H](CO[C@@H](C(=O)O)[C@H](CC(=O)O)C(=O)OC3)C(=C)CC[C@@H]12
InChIInChI=1S/C43H62O14/c1-24-10-12-30-41(4)15-8-16-42(30,5)28(24)20-54-34(36(48)49)26(18-32(44)45)37(50)56-22-40(3)14-9-17-43(6)29(25(2)11-13-31(40)43)21-55-35(39(52)53-7)27(19-33(46)47)38(51)57-23-41/h26-31,34-35H,1-2,8-23H2,3-7H3,(H,44,45)(H,46,47)(H,48,49)/t26-,27-,28-,29-,30-,31-,34+,35+,40-,41-,42+,43+/m0/s1
InChIKeyDEIWBIIKGZEKCA-LELKYNFJSA-N
Species of MetaboliteComponentSourceComments
Marasmius cladophyllus (ncbitaxon:224028) - PubMed (26281194)
ChEBI Ontology
Outgoing Relation(s)
Cryptoporic acid K (CHEBI:219336) has functional parent pentacarboxylic acid (CHEBI:35743)
Cryptoporic acid K (CHEBI:219336) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,5S,8R,9S,13R,17S,18R,22S,25R,26S,30R,34S)-9,26-bis(carboxymethyl)-25-methoxycarbonyl-13,17,30,34-tetramethyl-4,21-dimethylidene-10,27-dioxo-7,11,24,28-tetraoxapentacyclo[28.4.0.05,34.013,18.017,22]tetratriacontane-8-carboxylic acid
Manual XrefsDatabases
78441376ChemSpider