Terminology Service for NFDI4Health
Gemmacolide L, (rel)-
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http://purl.obolibrary.org/obo/CHEBI_68214
Term info
Label
Gemmacolide L, (rel)-
Subsets
2_STAR
charge
0
formula
C38H51ClO16
has obo namespace
chebi_ontology
id
CHEBI:68214
inchi
InChI=1S/C38H51ClO16/c1-17(2)13-25(43)48-15-27(45)53-24-12-11-19(5)28(39)31-38(47,20(6)35(46)55-31)34(52-23(9)42)30-36(24,10)32(51-22(8)41)29(50-21(7)40)33(37(30)16-49-37)54-26(44)14-18(3)4/h11-12,17-18,20,24,28-34,47H,5,13-16H2,1-4,6-10H3/b12-11-/t20-,24?,28-,29+,30+,31-,32-,33+,34-,36+,37-,38-/m0/s1
inchikey
YISWRMKMJWQNKQ-ISCLDJKTSA-N
mass
799.25500
monoisotopicmass
798.28656
smiles
[H][C@@]12OC(=O)[C@H](C)[C@@]1(O)[C@@H](OC(C)=O)[C@]1([H])[C@@](C)([C@H](OC(=O)COC(=O)CC(C)C)\C=C/C(=C)[C@@H]2Cl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@]11CO1
Term relations
Subclass of: