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CHEBI:203644 - Porialbocin A

ChEBI IDCHEBI:203644
ChEBI NamePorialbocin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H66O14
Net Charge0
Average Mass831.009
Monoisotopic Mass830.44526
SMILESC=C1CC[C@H]2[C@@]3(C)CCC[C@]2(C)C1CO[C@H](C(CC(=O)O)C(=O)OC)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H](CO[C@H](C(CC(=O)OC)C(=O)OC)C(=O)OC3)C(=C)CC[C@@H]12
InChIInChI=1S/C45H66O14/c1-26-12-14-33-43(4)17-11-18-44(33,5)30(26)22-56-36(28(20-34(46)47)38(49)54-8)40(51)58-24-42(3)16-10-19-45(6)31(27(2)13-15-32(42)45)23-57-37(41(52)59-25-43)29(39(50)55-9)21-35(48)53-7/h28-33,36-37H,1-2,10-25H2,3-9H3,(H,46,47)/t28?,29?,30?,31-,32-,33-,36+,37+,42-,43-,44+,45+/m0/s1
InChIKeyORVZDUZJPOXSDR-JCBBROAWSA-N
Species of MetaboliteComponentSourceComments
Poria (ncbitaxon:81051) - DOI (10.1016/j.phytol.2013.10.009)
ChEBI Ontology
Outgoing Relation(s)
Porialbocin A (CHEBI:203644) has functional parent pentacarboxylic acid (CHEBI:35743)
Porialbocin A (CHEBI:203644) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
3-[(1R,8R,12R,16S,17R,21S,24R,28R,32S)-24-(1,4-dimethoxy-1,4-dioxobutan-2-yl)-12,16,28,32-tetramethyl-4,20-dimethylidene-9,25-dioxo-7,10,23,26-tetraoxapentacyclo[26.4.0.05,32.012,17.016,21]dotriacontan-8-yl]-4-methoxy-4-oxobutanoic acid
Manual XrefsDatabases
78445121ChemSpider