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CHEBI:208680 - Hansforester I

ChEBI IDCHEBI:208680
ChEBI NameHansforester I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H36O14
Net Charge0
Average Mass620.604
Monoisotopic Mass620.21051
SMILESC[C@H](Cc1cc(O)cc(O)c1C(=O)O[C@H](C)CC(=O)O)OC(=O)C[C@@H](C)OC(=O)c1c(O)cc(O)cc1CC(=O)C[C@@H](C)O
InChIInChI=1S/C30H36O14/c1-14(31)5-20(32)10-19-11-22(34)13-24(36)28(19)30(41)44-17(4)8-26(39)42-15(2)6-18-9-21(33)12-23(35)27(18)29(40)43-16(3)7-25(37)38/h9,11-17,31,33-36H,5-8,10H2,1-4H3,(H,37,38)/t14-,15-,16-,17-/m1/s1
InChIKeyNDOHHEDAXKQGBY-QBPKDAKJSA-N
Species of MetaboliteComponentSourceComments
Ascotricha sinuosa (ncbitaxon:1217297) - DOI (10.1039/c8ra08606k)
ChEBI Ontology
Outgoing Relation(s)
Hansforester I (CHEBI:208680) has functional parent tetracarboxylic acid (CHEBI:35742)
Hansforester I (CHEBI:208680) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R)-3-[2-[(2R)-2-[(3R)-3-[2,4-dihydroxy-6-[(4R)-4-hydroxy-2-oxopentyl]benzoyl]oxybutanoyl]oxypropyl]-4,6-dihydroxybenzoyl]oxybutanoic acid
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