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trigoheterin E, (rel)-

Go to external page http://purl.obolibrary.org/obo/CHEBI_69173

Term info

Label

trigoheterin E, (rel)-

database cross reference
Subsets

2_STAR

charge

0

formula

C34H36O9

has obo namespace

chebi_ontology

id

CHEBI:69173

inchi

InChI=1S/C34H36O9/c1-17(2)32-25(39-28(36)20-12-8-6-9-13-20)19(4)33-22-16-18(3)24(35)31(22,38)29(37)30(5)26(40-30)23(33)27(32)41-34(42-32,43-33)21-14-10-7-11-15-21/h6-15,18-19,22-23,25-27,29,37-38H,1,16H2,2-5H3/t18-,19+,22+,23-,25-,26+,27+,29+,30+,31+,32-,33-,34?/m0/s1

inchikey

VUPIVOZJYBEXBH-UXXZJWSNSA-N

mass

588.64420

monoisotopicmass

588.23593

smiles

[H][C@]12O[C@@]1(C)[C@@H](O)[C@]1(O)C(=O)[C@@H](C)C[C@@]1([H])[C@]13OC4(O[C@]([H])([C@]21[H])[C@@](O4)([C@@H](OC(=O)c1ccccc1)[C@H]3C)C(C)=C)c1ccccc1