CHEBI:144227 - Secalonic acid F

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Secalonic acid F
ChEBI ID CHEBI:144227
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C32H30O14
Net Charge 0
Average Mass 638.573
Monoisotopic Mass 638.164
InChI InChI=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
InChIKey NFZJAYYORNVZNI-XIBZLVKHSA-N
SMILES O=C1C2=C(O)C3=C(O)C(C4=C(O)C=5C(O)=C6C(=O)C[C@H](C)[C@H]([C@]6(C(=O)OC)OC5C=C4)O)=CC=C3O[C@@]2(C(=O)OC)[C@@H](O)[C@H](C1)C
ChEBI Ontology
Outgoing Secalonic acid F (CHEBI:144227) is a xanthenes (CHEBI:38835)