CHEBI:9456 - Terpenoid EA-I

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Terpenoid EA-I
ChEBI ID CHEBI:9456
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H40O8
Net Charge 0
Average Mass 528.635
Monoisotopic Mass 528.27232
InChI InChI=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
InChIKey CZCPFHFUOUQBDL-NBYZGKQKSA-N
SMILES CCCCC\C=C\C=C\C12O[C@@H]3[C@@H]4[C@@H]5O[C@]5(CO)[C@@H](O)[C@@]5(O)[C@@H](C=C(C)C5=O)[C@@]4(O1)[C@H](C)C[C@@]3(O2)C(C)=C
ChEBI Ontology
Outgoing Terpenoid EA-I (CHEBI:9456) is a diterpenoid (CHEBI:23849)
Synonyms Sources
Excoecariatoxin KEGG COMPOUND
Simplexin, 22,23,24,25-tetradehydro- KEGG COMPOUND
Terpenoid EA-I KEGG COMPOUND
Manual Xrefs Databases
C00003490 KNApSAcK
C09198 KEGG COMPOUND
View more database links
Registry Number Type Source
92219-48-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014