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CHEBI:205049 - Cryptoporic acid D

ChEBI IDCHEBI:205049
ChEBI NameCryptoporic acid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H60O14
Net Charge0
Average Mass788.928
Monoisotopic Mass788.39831
SMILESC=C1CC[C@H]2[C@@]3(C)CCC[C@]2(C)[C@H]1CO[C@@H](C(=O)O)[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/C42H60O14/c1-23-9-11-29-39(3)13-7-15-41(29,5)27(23)19-53-33(35(47)48)25(17-31(43)44)37(51)56-22-40(4)14-8-16-42(6)28(24(2)10-12-30(40)42)20-54-34(36(49)50)26(18-32(45)46)38(52)55-21-39/h25-30,33-34H,1-2,7-22H2,3-6H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)/t25-,26-,27-,28-,29-,30-,33+,34+,39-,40-,41+,42+/m0/s1
InChIKeyWMUCAJUQTYPNME-OBIIMGONSA-N
Species of MetaboliteComponentSourceComments
Cryptoporus volvatus (ncbitaxon:40431) - DOI (10.1039/c39890000258)
ChEBI Ontology
Outgoing Relation(s)
Cryptoporic acid D (CHEBI:205049) has functional parent pentacarboxylic acid (CHEBI:35743)
Cryptoporic acid D (CHEBI:205049) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,5S,8R,9S,13R,17S,18R,22S,25R,26S,30R,34S)-9,26-bis(carboxymethyl)-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-8,25-dicarboxylic acid
Manual XrefsDatabases
78443504ChemSpider