input word = C00041912

Metabolite InformationStructural formula
Name Tauroside H1
Formula C59H96O26
Mw 1220.61898324
CAS RN 170663-66-8
C_ID C00041912 ,
InChIKey PVNXMFDNBHBTQH-VWYSNTOFNA-N
InChICode InChI=1S/C59H96O26/c1-23-34(63)38(67)42(71)49(78-23)83-46-28(20-60)80-48(45(74)41(46)70)77-22-29-37(66)40(69)44(73)51(81-29)85-53(75)59-17-16-54(3,4)18-26(59)25-10-11-31-56(7)14-13-33(55(5,6)30(56)12-15-57(31,8)58(25,9)19-32(59)62)82-52-47(36(65)27(61)21-76-52)84-50-43(72)39(68)35(64)24(2)79-50/h10,23-24,26-52,60-74H,11-22H2,1-9H3/t23-,24-,26-,27-,28+,29+,30-,31+,32+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,45+,46+,47+,48+,49-,50-,51-,52-,56-,57+,58+,59+/m0/s1
SMILES C1[C@@H]2[C@](CCC1(C)C)([C@@H](C[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)C)C)C)O)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax senticosus Ref.
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