input word = C00056577

Metabolite InformationStructural formula
Name Flacourticin
Formula C38H38O15
Mw 734.22107055
CAS RN 1187241-37-7
C_ID C00056577
InChIKey JPJMKYWXERPRPD-VIFAHVEYSA-N
InChICode InChI=1S/C38H38O15/c1-3-47-33-26(40)18-19-29(50-22(2)39)38(33,46)37(45)49-20-25-16-10-11-17-27(25)51-36-31(42)30(41)32(53-35(44)24-14-8-5-9-15-24)28(52-36)21-48-34(43)23-12-6-4-7-13-23/h4-19,28-33,36,41-42,46H,3,20-21H2,1-2H3/t28-,29-,30-,31-,32-,33+,36-,38-/m1/s1
SMILES O=C(C1=CC=CC=C1)OC[C@H]2O[C@@H](OC3=CC=CC=C3COC([C@@]4(O)[C@H](OC(C)=O)C=CC([C@@H]4OCC)=O)=O)[C@H](O)[C@@H](O)[C@@H]2OC(C5=CC=CC=C5)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFlacourtiaceaeFlacourtia indica Ref.
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