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CHEBI:9456 - Terpenoid EA-I

ChEBI IDCHEBI:9456
ChEBI NameTerpenoid EA-I
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC30H40O8
Net Charge0
Average Mass528.642
Monoisotopic Mass528.27232
SMILES[H][C@@]12C=C(C)C(=O)[C@@]1(O)[C@H](O)[C@@]1(CO)O[C@@]1([H])[C@@]1([H])[C@H]3OC4(/C=C/C=C/CCCCC)O[C@@]21[C@H](C)C[C@]3(C(=C)C)O4
InChIInChI=1S/C30H40O8/c1-6-7-8-9-10-11-12-13-28-36-23-21-24-27(16-31,35-24)25(33)29(34)20(14-18(4)22(29)32)30(21,38-28)19(5)15-26(23,37-28)17(2)3/h10-14,19-21,23-25,31,33-34H,2,6-9,15-16H2,1,3-5H3/b11-10+,13-12+/t19-,20-,21-,23-,24+,25-,26-,27+,28?,29-,30+/m1/s1
InChIKeyCZCPFHFUOUQBDL-NBYZGKQKSA-N
ChEBI Ontology
Outgoing Relation(s)
Terpenoid EA-I (CHEBI:9456) is a diterpenoid (CHEBI:23849)
Synonyms  Source
Terpenoid EA-IKEGG COMPOUND
ExcoecariatoxinKEGG COMPOUND
Simplexin, 22,23,24,25-tetradehydro-KEGG COMPOUND
Manual XrefsDatabases
C09198KEGG COMPOUND
C00003490KNApSAcK
Registry NumbersSources
CAS:92219-48-2KEGG COMPOUND