input word = C00063779

Metabolite InformationStructural formula
Name Arjunaside B
Formula C36H56O11
Mw 664.38226263
CAS RN 1310536-47-0
C_ID C00063779
InChIKey AKNDFFQOTCGTSS-XVLRREPGSA-N
InChICode InChI=1S/C36H56O11/c1-31(2,18-38)11-13-36(30(45)47-29-27(43)26(42)25(41)22(17-37)46-29)14-12-34(5)20(15-36)7-8-24-32(3)16-21(40)28(44)33(4,19-39)23(32)9-10-35(24,34)6/h7-8,15,18,21-29,37,39-44H,9-14,16-17,19H2,1-6H3/t21-,22-,23-,24-,25-,26+,27-,28+,29+,32+,33+,34-,35-,36+/m1/s1
SMILES CC(C)(C=O)CCC1(C(=O)OC2OC(CO)C(O)C(O)C2O)C=C2C=CC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C2(C)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeTerminalia arjuna Ref.
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