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CHEBI:222725 - Gargantulide C

ChEBI IDCHEBI:222725
ChEBI NameGargantulide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC110H208N2O42
Net Charge0
Average Mass2230.846
Monoisotopic Mass2229.42017
SMILESCCC[C@H](CC[C@H](O[C@@H]1O[C@H](C)[C@@H](O)[C@H](NC)[C@H]1O)[C@H](C)[C@@H](O)C[C@H](O)C[C@@H](CCC[C@H](O)CC[C@H](C)CCCCN)O[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)[C@H]1OC(=O)CCCC[C@H](C)[C@@H](O)CC[C@H](C)[C@@H](O)[C@H](C)CCCC[C@@H](O)[C@@H](C)C(=O)C[C@H](O)C(C)=C[C@@H](OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](C)[C@@H](O)C[C@H](O)CCC[C@@H](O)C[C@H](O)C[C@@H](O)C[C@H](O)C[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)[C@H](O)C[C@H](O)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1C
InChIInChI=1S/C110H208N2O42/c1-15-24-67(36-39-85(148-107-100(140)92(112-14)96(136)66(13)146-107)61(8)80(127)48-74(122)45-76(147-108-103(143)99(139)90(54-115)151-108)31-23-28-68(116)37-34-55(2)25-20-21-40-111)106-65(12)86(149-109-104(144)101(141)97(137)88(52-113)152-109)50-75(123)49-83(130)63(10)94(134)62(9)82(129)47-73(121)44-72(120)43-71(119)42-69(117)29-22-30-70(118)46-81(128)64(11)95(135)87(150-110-105(145)102(142)98(138)89(53-114)153-110)41-59(6)79(126)51-84(131)60(7)78(125)32-18-16-27-57(4)93(133)58(5)35-38-77(124)56(3)26-17-19-33-91(132)154-106/h41,55-58,60-83,85-90,92-110,112-130,133-145H,15-40,42-54,111H2,1-14H3/t55-,56+,57-,58+,60-,61-,62+,63+,64-,65+,66-,67-,68+,69-,70-,71+,72-,73+,74-,75+,76-,77+,78-,79+,80+,81+,82-,83-,85+,86+,87-,88-,89-,90-,92+,93+,94-,95-,96-,97-,98-,99-,100-,101+,102+,103+,104-,105+,106+,107+,108+,109-,110?/m1/s1
InChIKeyPORSANQCUOUJQE-AWUYNZIXSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsisspecies CA-230715 (ncbitaxon:2745196) - DOI (10.1039/d1qo01480c)
ChEBI Ontology
Outgoing Relation(s)
Gargantulide C (CHEBI:222725) is a diterpene glycoside (CHEBI:71939)