input word = C00056256

Metabolite InformationStructural formula
Name Triptregeline C
Formula C30H35NO10
Mw 569.22609635
CAS RN 2197992-85-9
C_ID C00056256
InChIKey LZEYQGCQWHRRML-DBCJTVJKSA-N
InChICode InChI=1S/C30H35NO10/c1-17(33)38-23-21-22(34)24(40-25(35)18-9-6-5-7-10-18)29(16-32)20(39-26(36)19-11-8-14-31-15-19)12-13-28(4,37)30(23,29)41-27(21,2)3/h5-11,14-15,20-24,32,34,37H,12-13,16H2,1-4H3/t20-,21+,22+,23+,24+,28-,29-,30-/m0/s1
SMILES CC(=O)O[C@@H]1[C@H]2[C@@H](O)[C@@H](OC(=O)c3ccccc3)[C@]3(CO)[C@@H](OC(=O)c4cccnc4)CC[C@](C)(O)[C@@]13OC2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium regelii Ref.
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OrganismTripterygium regelii
ReferenceLv, H. et al., Fitoterapia, 137, (2019), 104190.