input word = C00064462

Metabolite InformationStructural formula
Name Albiziahexoside
Formula C65H105NO29
Mw 1363.6772264
CAS RN 643734-44-5
C_ID C00064462
InChIKey MORDQWDUQLZRQR-JZJJSBPCSA-N
InChICode InChI=1S/C65H105NO29/c1-25-39(72)45(78)48(81)55(88-25)92-50-26(2)89-56(49(82)46(50)79)94-52-42(75)32(70)23-86-58(52)95-59(83)65-18-17-60(4,5)19-29(65)28-11-12-35-62(8)15-14-37(61(6,7)34(62)13-16-63(35,9)64(28,10)20-36(65)71)91-53-38(66-27(3)67)44(77)43(76)33(90-53)24-87-57-51(41(74)31(69)22-85-57)93-54-47(80)40(73)30(68)21-84-54/h11,25-26,29-58,68-82H,12-24H2,1-10H3,(H,66,67)/t25-,26-,29-,30+,31-,32+,33+,34-,35+,36+,37-,38+,39-,40-,41-,42-,43+,44+,45+,46-,47+,48+,49+,50-,51+,52+,53-,54-,55-,56-,57-,58-,62-,63+,64+,65+/m0/s1
SMILES CC(=O)NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OCC(O)C(O)C5OC5OC(C)C(OC6OC(C)C(O)C(O)C6O)C(O)C5O)C(O)CC34C)C2(C)C)OC(COC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAlbizia lebbeck Ref.
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