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CHEBI:216247 - Menisporopsin A

ChEBI IDCHEBI:216247
ChEBI NameMenisporopsin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC40H46O17
Net Charge0
Average Mass798.791
Monoisotopic Mass798.27350
SMILESC[C@@H]1Cc2cc(O)cc(O)c2C(=O)O[C@H](C)CC(=O)O[C@H](C)Cc2cc(O)cc(O)c2C(=O)O[C@H](C)C[C@@H](O)Cc2cc(O)cc(O)c2C(=O)O[C@H](C)CC(=O)O1
InChIInChI=1S/C40H46O17/c1-18-6-23-11-27(42)15-30(45)35(23)38(50)55-20(3)8-26(41)13-25-14-29(44)17-32(47)37(25)40(52)57-22(5)10-34(49)54-19(2)7-24-12-28(43)16-31(46)36(24)39(51)56-21(4)9-33(48)53-18/h11-12,14-22,26,41-47H,6-10,13H2,1-5H3/t18-,19-,20-,21-,22-,26-/m1/s1
InChIKeyMZOGTSLLZCHVTJ-ACLVMWMJSA-N
Species of MetaboliteComponentSourceComments
Menisporopsis theobromae (ncbitaxon:752604) - PubMed (15104506)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Menisporopsin A (CHEBI:216247) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(4R,6S,16R,20R,30R,34R)-6,10,12,24,26,38,40-heptahydroxy-4,16,20,30,34-pentamethyl-3,15,19,29,33-pentaoxatetracyclo[34.4.0.08,13.022,27]tetraconta-1(36),8(13),9,11,22(27),23,25,37,39-nonaene-2,14,18,28,32-pentone
Manual XrefsDatabases
4440685ChemSpider