input word = C00063158

Metabolite InformationStructural formula
Name Esculeogenin A
Formula C27H45NO4
Mw 447.33485893
CAS RN 854381-37-6
C_ID C00063158
InChIKey FBKQAVWTYDQPAB-HBDLFPIVSA-N
InChICode InChI=1S/C27H45NO4/c1-15-24-22(32-27(15)23(31)10-16(14-29)13-28-27)12-21-19-5-4-17-11-18(30)6-8-25(17,2)20(19)7-9-26(21,24)3/h15-24,28-31H,4-14H2,1-3H3/t15-,16-,17-,18-,19+,20-,21-,22-,23+,24-,25-,26-,27-/m0/s1
SMILES CC1C2C(CC3C4CCC5CC(O)CCC5(C)C4CCC32C)OC12NCC(CO)CC2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum lycopersicum Ref.
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