input word = C00063781

Metabolite InformationStructural formula
Name Arjunaside D
Formula C36H60O10
Mw 652.41864814
CAS RN 1310536-49-2
C_ID C00063781
InChIKey PBPNKRNFJAXKLO-IOLCTTMFSA-N
InChICode InChI=1S/C36H60O10/c1-31(2,19-38)12-14-36(30(44)46-29-27(42)26(41)25(40)22(18-37)45-29)15-13-34(6)20(16-36)8-9-24-33(5)17-21(39)28(43)32(3,4)23(33)10-11-35(24,34)7/h16,21-29,37-43H,8-15,17-19H2,1-7H3/t21-,22-,23+,24-,25-,26+,27-,28+,29+,33+,34-,35-,36+/m1/s1
SMILES CC(C)(CO)CCC1(C(=O)OC2OC(CO)C(O)C(O)C2O)C=C2CCC3C4(C)CC(O)C(O)C(C)(C)C4CCC3(C)C2(C)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeTerminalia arjuna Ref.
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