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CHEBI:227135 - Campechic acid B

ChEBI IDCHEBI:227135
ChEBI NameCampechic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H68O8
Net Charge0
Average Mass664.965
Monoisotopic Mass664.49142
SMILESC[C@H](CC=C[C@H](C)[C@@H](O)CC1CCC(C)(C2CCC(C)([C@@H](C)O)O2)O1)C[C@@H](C)C(O)=CC(=O)[C@@H](C)C[C@@H](C)C[C@H](C)C[C@H](C)C(=O)O
InChIInChI=1S/C39H68O8/c1-24(19-28(5)34(42)23-35(43)29(6)20-25(2)18-26(3)21-30(7)37(44)45)12-11-13-27(4)33(41)22-32-14-16-39(10,46-32)36-15-17-38(9,47-36)31(8)40/h11,13,23-33,36,40-42H,12,14-22H2,1-10H3,(H,44,45)/t24-,25+,26+,27+,28-,29+,30+,31-,32?,33+,36?,38?,39?/m1/s1
InChIKeyQYNFKUAGTMNTQY-QIGOITGSSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (24592993)
ChEBI Ontology
Outgoing Relation(s)
Campechic acid B (CHEBI:227135) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(2S,4S,6S,8S,12R,14R,18S,19S)-11,19-dihydroxy-20-[5-[5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,4,6,8,12,14,18-heptamethyl-9-oxoicosa-10,16-dienoic acid