input word = C00061501

Metabolite InformationStructural formula
Name 2-Decarboxy-(15S)-phyllocactin
Formula C26H28N2O14
Mw 592.15405362
CAS RN 340720-02-7
C_ID C00061501
InChIKey HVJQBJYISMGBFK-ROLRRBERSA-N
InChICode InChI=1S/C26H28N2O14/c29-16-8-15-12(2-4-28(15)3-1-11-5-13(24(36)37)27-14(6-11)25(38)39)7-17(16)41-26-23(35)22(34)21(33)18(42-26)10-40-20(32)9-19(30)31/h1,3,5,7-8,14,18,21-23,26,29,33-35H,2,4,6,9-10H2,(H,30,31)(H,36,37)(H,38,39)/t14-,18+,21+,22-,23+,26+/m0/s1
SMILES O=C(O)CC(=O)OCC1OC(Oc2cc3c(cc2O)N(C=CC2=CC(C(=O)O)=NC(C(=O)O)C2)CC3)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllalesBeta vulgaris Ref.
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