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CHEBI:3004 - Beiwutine

ChEBI IDCHEBI:3004
ChEBI NameBeiwutine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC33H45NO12
Net Charge0
Average Mass647.718
Monoisotopic Mass647.29418
SMILES[H][C@]12[C@@H](OC(=O)c3ccccc3)[C@]3(O)C[C@@]1(O)[C@@]14C5[C@H]([C@H](OC)[C@]1([H])[C@](COC)(CN5C)[C@H](O)C[C@@H]4OC)[C@@]2(OC(C)=O)[C@@H](O)[C@@H]3OC
InChIInChI=1S/C33H45NO12/c1-16(35)46-33-20-21(43-5)22-29(15-41-3)14-34(2)24(20)32(22,19(42-4)12-18(29)36)31(40)13-30(39,27(44-6)25(33)37)26(23(31)33)45-28(38)17-10-8-7-9-11-17/h7-11,18-27,36-37,39-40H,12-15H2,1-6H3/t18-,19+,20+,21+,22-,23+,24?,25+,26-,27+,29+,30-,31+,32-,33+/m1/s1
InChIKeyGPTAWZLFSGYZGC-JDMPSTDXSA-N
ChEBI Ontology
Outgoing Relation(s)
Beiwutine (CHEBI:3004) is a benzoate ester (CHEBI:36054)
Synonym  Source
BeiwutineKEGG COMPOUND
Manual XrefsDatabases
C08663KEGG COMPOUND
C00001619KNApSAcK
Registry NumbersSources
CAS:76918-93-9KEGG COMPOUND