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CHEBI:211566 - Campechic acid A

ChEBI IDCHEBI:211566
ChEBI NameCampechic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H70O8
Net Charge0
Average Mass678.992
Monoisotopic Mass678.50707
SMILESCC[C@@H](C[C@@H](C)C[C@H](C)C[C@H](C)C(=O)O)C(=O)C=C(O)[C@H](C)C[C@H](C)C/C=C/[C@H](C)[C@@H](O)CC1CCC(C)(C2CCC(C)([C@@H](C)O)O2)O1
InChIInChI=1S/C40H70O8/c1-11-32(22-27(4)19-26(3)21-30(7)38(45)46)36(44)24-35(43)29(6)20-25(2)13-12-14-28(5)34(42)23-33-15-17-40(10,47-33)37-16-18-39(9,48-37)31(8)41/h12,14,24-34,37,41-43H,11,13,15-23H2,1-10H3,(H,45,46)/b14-12+,35-24?/t25-,26+,27+,28+,29-,30+,31-,32+,33?,34+,37?,39?,40?/m1/s1
InChIKeyYHLSUHMNJIULEP-KHRNSILASA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (24592993)
ChEBI Ontology
Outgoing Relation(s)
Campechic acid A (CHEBI:211566) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(2S,4S,6S,8S,12R,14R,16E,18S,19S)-8-ethyl-11,19-dihydroxy-20-[5-[5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,4,6,12,14,18-hexamethyl-9-oxoicosa-10,16-dienoic acid
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