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CHEBI:138847 - Cinncassiol B

Default Structure
ChEBI IDCHEBI:138847
ChEBI NameCinncassiol B
Stars
Last Modified26 October 2017
Submittermwilliams
DownloadsMolfile
FormulaC20H32O8
Net Charge0
Average Mass400.468
Monoisotopic Mass400.20972
SMILESCC(CO)[C@@]1(O)C[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@@]41C
InChIInChI=1S/C20H32O8/c1-10-5-6-16(24)13(3)8-18(26)14(4)15(23,11(2)7-21)9-17(13,25)20(14,27)19(16,28-18)12(10)22/h10-12,21-27H,5-9H2,1-4H3/t10-,11?,12+,13-,14+,15-,16-,17+,18-,19+,20+/m0/s1
InChIKeyLIGPZBKBGCJTGC-VSDDQSBZSA-N
ChEBI Ontology
Outgoing Relation(s)
Cinncassiol B (CHEBI:138847) is a diterpenoid (CHEBI:23849)
Manual XrefsDatabases
C17648KEGG COMPOUND