input word = C00063159

Metabolite InformationStructural formula
Name Esculeogenin B
Formula C27H45NO4
Mw 447.33485893
CAS RN 854381-41-2
C_ID C00063159
InChIKey AGNQTDBSAUJBFO-JCEQVCBNSA-N
InChICode InChI=1S/C27H45NO4/c1-15-23-22(32-27(31)12-16(14-29)13-28-24(15)27)11-21-19-5-4-17-10-18(30)6-8-25(17,2)20(19)7-9-26(21,23)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 CC1C2NCC(CO)CC2(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum lycopersicum Ref.
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