input word = C00050726

Metabolite InformationStructural formula
Name 5alpha-Hydroxytriptonide
Formula C20H22O7
Mw 374.13655306
CAS RN 571176-87-9
C_ID C00050726
InChIKey SVWZPKRMGJFEFO-OXPUNSGYNA-N
InChICode InChI=1S/C20H22O7/c1-8(2)18-12(26-18)13-20(27-13)16(3)5-4-9-10(7-24-14(9)21)17(16,23)6-11-19(20,25-11)15(18)22/h8,11-13,23H,4-7H2,1-3H3/t11-,12-,13-,16-,17+,18-,19+,20+/m0/s1
SMILES CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@]1(O)C[C@@H]1O[C@@]13C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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OrganismTripterygium wilfordii
ReferenceNing, et al., Planta Med, 69, (2003), 804