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CHEBI:144225 - Secalonic acid D

ChEBI IDCHEBI:144225
ChEBI NameSecalonic acid D
Stars
Submittermwilliams
DownloadsMolfile
FormulaC32H30O14
Net Charge0
Average Mass638.578
Monoisotopic Mass638.16356
SMILESCOC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C(O)=C4C(=O)C[C@H](C)[C@@H](O)[C@]4(C(=O)OC)O5)c(O)c3C(O)=C1C(=O)C[C@H](C)[C@H]2O
InChIInChI=1S/C32H30O14/c1-11-9-15(33)21-25(37)19-17(45-31(21,27(11)39)29(41)43-3)7-5-13(23(19)35)14-6-8-18-20(24(14)36)26(38)22-16(34)10-12(2)28(40)32(22,46-18)30(42)44-4/h5-8,11-12,27-28,35-40H,9-10H2,1-4H3/t11-,12-,27+,28+,31+,32+/m0/s1
InChIKeyNFZJAYYORNVZNI-OCHURCMPSA-N
ChEBI Ontology
Outgoing Relation(s)
Secalonic acid D (CHEBI:144225) is a xanthenes (CHEBI:38835)