input word =
C00025862
Metabolite Information
Structural formula
Name
Ervafoline
Formula
C40H44N4O4
Mw
644.33625592
CAS RN
70545-44-7
C_ID
C00025862 ,
InChIKey
FQDMJZBDZWLYDU-RCFDGIPZNA-N
InChICode
InChI=1S/C40H44N4O4/c1-4-35-19-25-30-37(5-2)21-36-18-22(32(45)46-3)29-38(14-17-43(30)36,23-10-6-8-12-26(23)41-29)34(36)44-27-13-9-7-11-24(27)39(40(25,44)48-37)15-16-42(33(35)39)20-28-31(35)47-28/h6-13,25,28,30-31,33-34,41H,4-5,14-21H2,1-3H3/t25-,28+,30-,31+,33-,34-,35+,36-,37-,38+,39+,40+/m0/s1
SMILES
CC[C@]12C[C@]34CC(C(=O)OC)=C5Nc6ccccc6[C@]56CCN3[C@H]1[C@@H]1C[C@]3(CC)[C@@H]5O[C@@H]5CN5CC[C@@]7(c8ccccc8N([C@@H]46)[C@@]17O2)[C@@H]53
Start Substs in Alk. Biosynthesis (Prediction)
L-Trp
Secologanin
Organism
Kingdom
Family
Species
Reference
Plantae
Apocynaceae
Ervatamia pandacaqui
Ref.
Plantae
Apocynaceae
Tabernaemontana pandacaqui Poir.
Ref.
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