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CHEBI:8599 - Provincialin

ChEBI IDCHEBI:8599
ChEBI NameProvincialin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC27H34O10
Net Charge0
Average Mass518.559
Monoisotopic Mass518.21520
SMILES[H][C@@]12/C=C(/C)[C@@H](OC(C)=O)C/C=C(\C)C[C@@H](OC(=O)/C(=C/CO)COC(=O)/C(=C/C)CO)[C@@]1([H])C(=C)C(=O)O2
InChIInChI=1S/C27H34O10/c1-6-19(13-29)26(32)34-14-20(9-10-28)27(33)37-22-11-15(2)7-8-21(35-18(5)30)16(3)12-23-24(22)17(4)25(31)36-23/h6-7,9,12,21-24,28-29H,4,8,10-11,13-14H2,1-3,5H3/b15-7+,16-12-,19-6+,20-9+/t21-,22+,23+,24+/m0/s1
InChIKeyRQCXPCGOVWKZCE-UUFJRKJUSA-N
ChEBI Ontology
Outgoing Relation(s)
Provincialin (CHEBI:8599) is a germacranolide (CHEBI:73011)
Synonym  Source
ProvincialinKEGG COMPOUND
Manual XrefsDatabases
C09533KEGG COMPOUND
C00003354KNApSAcK
Registry NumbersSources
CAS:40328-96-9KEGG COMPOUND