input word = C00041212

Metabolite InformationStructural formula
Name Triptocallic acid A
(+)-Triptocallic acid A
Formula C30H48O4
Mw 472.35526002
CAS RN 190906-61-7
C_ID C00041212 ,
InChIKey IWVWTVWLRSUYNC-PJKLACGDNA-N
InChICode InChI=1S/C30H48O4/c1-17-18(25(33)34)16-23(32)28(5)14-15-29(6)19(24(17)28)8-9-21-27(4)12-11-22(31)26(2,3)20(27)10-13-30(21,29)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22+,23-,24-,27-,28-,29+,30+/m0/s1
SMILES C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@@H](O)C[C@H]1C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus loevis Ref.
PlantaeCelastraceaeTripterygium regelii Ref.
PlantaeCelastraceaeTripterygium wilfordii var.regelii Ref.
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OrganismTripterygium regelii
ReferenceLv, H. et al., Fitoterapia, 137, (2019), 104190.