input word = C00056268

Metabolite InformationStructural formula
Name Triregelolide B
Formula C29H40O5
Mw 468.28757439
CAS RN 2205911-83-5
C_ID C00056268
InChIKey BGMOCXGUWVRVLW-XFCFWDGBSA-N
InChICode InChI=1S/C29H40O5/c1-24-10-11-25(2,23(31)32)17-21(24)28(5)15-13-26(3)19-16-22(30)34-29(6,33-7)18(19)8-9-20(26)27(28,4)14-12-24/h8-9,16,21H,10-15,17H2,1-7H3,(H,31,32)/t21-,24+,25+,26-,27+,28-,29+/m0/s1
SMILES CO[C@]1(C)OC(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C
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.