input word = C00060868

Metabolite InformationStructural formula
Name 6-O-Acetylxylocarpin D
Formula C37H46O16
Mw 746.27858542
CAS RN 2237974-37-5
C_ID C00060868
InChIKey KHHUJTMGCXVWRU-IOOGWQBTSA-N
InChICode InChI=1S/C37H46O16/c1-16(38)48-24-12-23-35(8)28(27(32(44)46-9)49-17(2)39)33(6)15-36(35,53-20(5)42)26(30(33)50-18(3)40)31(51-19(4)41)37(23,45)22-13-25(43)52-29(34(22,24)7)21-10-11-47-14-21/h10-11,14,22-24,26-31,45H,12-13,15H2,1-9H3/t22-,23-,24+,26-,27+,28+,29+,30-,31-,33-,34+,35-,36+,37+/m1/s1
SMILES COC(=O)C(OC(C)=O)C1C2(C)CC3(OC(C)=O)C(C2OC(C)=O)C(OC(C)=O)C2(O)C4CC(=O)OC(c5ccoc5)C4(C)C(OC(C)=O)CC2C13C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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