input word = C00056255

Metabolite InformationStructural formula
Name Triptregeline B
Formula C34H39NO12
Mw 653.24722572
CAS RN 2197992-84-8
C_ID C00056255
InChIKey OSWYHQBZDXCTCZ-TVUKNPRMSA-N
InChICode InChI=1S/C34H39NO12/c1-19(36)42-18-33-24(45-30(40)23-13-10-16-35-17-23)14-15-32(6,41)34(33)27(44-21(3)38)25(31(4,5)47-34)26(43-20(2)37)28(33)46-29(39)22-11-8-7-9-12-22/h7-13,16-17,24-28,41H,14-15,18H2,1-6H3/t24-,25+,26+,27+,28+,32-,33-,34-/m0/s1
SMILES CC(=O)OC[C@@]12[C@@H](OC(=O)c3cccnc3)CC[C@](C)(O)[C@]13OC(C)(C)[C@H]([C@@H](OC(C)=O)[C@H]2OC(=O)c1ccccc1)[C@H]3OC(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.