CHEBI:4921 - Eupachlorin acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Eupachlorin acetate
ChEBI ID CHEBI:4921
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H27ClO8
Net Charge 0
Average Mass 454.899
Monoisotopic Mass 454.13945
InChI InChI=1S/C22H27ClO8/c1-6-10(2)19(25)30-15-8-21(27,9-23)17-14(29-13(5)24)7-11(3)22(17,28)18-16(15)12(4)20(26)31-18/h6-7,14-18,27-28H,4,8-9H2,1-3,5H3/b10-6-/t14-,15-,16-,17+,18+,21+,22-/m1/s1
InChIKey WVTMFOWXYVFVDE-UPVVJIFBSA-N
SMILES C\C=C(\C)C(=O)O[C@@H]1C[C@](O)(CCl)[C@@H]2[C@H](OC(C)=O)C=C(C)[C@]2(O)[C@H]2OC(=O)C(=C)[C@H]12
ChEBI Ontology
Outgoing Eupachlorin acetate (CHEBI:4921) is a sesquiterpene lactone (CHEBI:37667)
Synonym Source
Eupachlorin acetate KEGG COMPOUND
Manual Xrefs Databases
C00003264 KNApSAcK
C09417 KEGG COMPOUND
View more database links
Registry Number Type Source
20501-52-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014