input word = C00040490

Metabolite InformationStructural formula
Name Tinosposinenside A
(+)-Tinosposinenside A
Formula C27H36O12
Mw 552.22067662
CAS RN 1002325-96-3
C_ID C00040490 ,
InChIKey OZBWLDZUMGKCEP-MIIRFUJVNA-N
InChICode InChI=1S/C27H36O12/c1-13(29)37-16-3-4-19(30)27(12-36-25-22(33)21(32)20(31)18(10-28)39-25)7-5-15-24(34)38-17(14-6-8-35-11-14)9-26(15,2)23(16)27/h6,8,11,15-18,20-23,25,28,31-33H,3-5,7,9-10,12H2,1-2H3/t15-,16-,17-,18+,20+,21-,22+,23-,25+,26+,27+/m0/s1
SMILES O([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C[C@@]12[C@@H]([C@H](CCC1=O)OC(=O)C)[C@]1([C@@H](CC2)C(=O)O[C@@H](C1)c1cocc1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeTinospora sinensis Ref.
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OrganismTinospora sinensis
ReferenceLi,J.Nat.Prod.,70,(2007),1971