input word = C00063738

Metabolite InformationStructural formula
Name Albizoside E
Formula C117H184O56
Mw 2485.15502472
CAS RN 1252591-12-0
C_ID C00063738
InChIKey HGLUYVDMZVNQFO-GKQNRLPKSA-N
InChICode InChI=1S/C117H184O56/c1-19-111(13,171-103-86(144)76(134)68(126)49(5)154-103)34-24-27-54(41-119)97(149)165-94-79(137)69(127)50(6)155-107(94)173-113(15,21-3)32-22-25-48(4)95(147)164-89-51(7)157-104(87(145)81(89)139)172-112(14,20-2)33-23-26-53(40-118)96(148)162-67-39-117(108(150)170-106-93(80(138)73(131)60(43-121)160-106)169-102-88(146)91(167-101-85(143)77(135)72(130)59(42-120)158-101)90(52(8)156-102)166-100-83(141)74(132)61(44-122)159-100)56(37-109(67,9)10)55-28-29-64-114(16)35-31-66(110(11,12)63(114)30-36-115(64,17)116(55,18)38-65(117)125)163-99-84(142)78(136)75(133)62(161-99)47-153-105-92(71(129)58(124)46-152-105)168-98-82(140)70(128)57(123)45-151-98/h19-21,25-28,49-52,56-94,98-107,118-146H,1-3,22-24,29-47H2,4-18H3/b48-25+,53-26+,54-27+/t49-,50-,51-,52+,56+,57-,58+,59-,60-,61+,62-,63+,64-,65-,66+,67+,68-,69-,70+,71+,72-,73-,74+,75-,76+,77+,78+,79+,80+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90+,91+,92-,93-,94-,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,111-,112-,113-,114+,115-,116-,117-/m1/s1
SMILES C=CC(C)(CCC=C(CO)C(=O)OC1C(OC(C)(C=C)CCC=C(C)C(=O)OC2C(C)OC(OC(C)(C=C)CCC=C(CO)C(=O)OC3CC4(C(=O)OC5OC(CO)C(O)C(O)C5OC5OC(C)C(OC6OC(CO)C(O)C6O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(O)CC5(C)C(=CCC6C7(C)CCC(OC8OC(COC9OCC(O)C(O)C9OC9OCC(O)C(O)C9O)C(O)C(O)C8O)C(C)(C)C7CCC65C)C4CC3(C)C)C(O)C2O)OC(C)C(O)C1O)OC1OC(C)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAlbizia chinensis Ref.
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