input word = C00039600

Metabolite InformationStructural formula
Name Ladyginoside F
Formula C72H116O40
Mw 1620.70428859
CAS RN 53846-55-2
C_ID C00039600 ,
InChIKey ARCYVHYCZIANOD-UHFFFAOYNA-N
InChICode InChI=1S/C72H116O40/c1-67(2)13-15-72(16-14-70(5)25(26(72)17-67)7-8-34-68(3)11-10-35(69(4,24-76)33(68)9-12-71(34,70)6)108-65-54(95)47(88)56(57(111-65)58(96)97)110-63-51(92)43(84)38(79)29(20-75)104-63)66(98)112-64-52(93)45(86)40(81)31(106-64)22-100-61-53(94)46(87)55(109-62-50(91)42(83)37(78)28(19-74)103-62)32(107-61)23-101-60-49(90)44(85)39(80)30(105-60)21-99-59-48(89)41(82)36(77)27(18-73)102-59/h7,26-57,59-65,73-95H,8-24H2,1-6H3,(H,96,97)/t26-,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+,53-,54+,55+,56-,57-,59-,60+,61-,62+,63+,64+,65+,68+,69+,70-,71-,72-/m1/s1
SMILES C1[C@H]2[C@@](CCC1(C)C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(CC[C@@H]([C@]1(CO)C)O[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)C(=O)O)C)C)C)C(=O)O[C@@H]1O[C@H]([C@@H]([C@@H]([C@@H]1O)O)O)CO[C@@H]1O[C@@H]([C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O)CO)CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeLadyginia bucharica Ref.
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