input word = C00056260

Metabolite InformationStructural formula
Name Triptregeline G
Formula C30H35NO12
Mw 601.21592559
CAS RN 2197992-90-6
C_ID C00056260
InChIKey PGHCELTYXFFCRQ-DBCJTVJKSA-N
InChICode InChI=1S/C30H35NO12/c1-16(32)39-15-29-20(41-26(36)19-9-12-38-14-19)8-10-28(5,37)30(29)23(34)21(27(3,4)43-30)22(24(29)40-17(2)33)42-25(35)18-7-6-11-31-13-18/h6-7,9,11-14,20-24,34,37H,8,10,15H2,1-5H3/t20-,21+,22+,23+,24+,28-,29-,30-/m0/s1
SMILES CC(=O)OC[C@@]12[C@@H](OC(=O)c3ccoc3)CC[C@](C)(O)[C@]13OC(C)(C)[C@@H](C3O)[C@@H](OC(=O)c1cccnc1)[C@H]2OC(C)=O
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.