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CHEBI:220795 - Botryoanhydride

ChEBI IDCHEBI:220795
ChEBI NameBotryoanhydride
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O7
Net Charge0
Average Mass350.367
Monoisotopic Mass350.13655
SMILESCCC[C@@H]1[C@H]2C(=O)OC(=O)[C@@]23CC[C@@]12C(=O)OC(=O)[C@@H]2C[C@H](C)[C@H]3O
InChIInChI=1S/C18H22O7/c1-3-4-9-11-14(21)25-16(23)18(11)6-5-17(9)10(7-8(2)12(18)19)13(20)24-15(17)22/h8-12,19H,3-7H2,1-2H3/t8-,9+,10-,11-,12+,17+,18-/m0/s1
InChIKeyFQGPVVLWZKYVBX-CVOXQCQQSA-N
ChEBI Ontology
Outgoing Relation(s)
Botryoanhydride (CHEBI:220795) has functional parent tetracarboxylic acid (CHEBI:35742)
Botryoanhydride (CHEBI:220795) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2R,3S,5R,9R,10R,11R)-2-hydroxy-3-methyl-10-propyl-7,13-dioxatetracyclo[7.5.2.01,11.05,9]hexadecane-6,8,12,14-tetrone
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