input word = C00047191

Metabolite InformationStructural formula
Name Borivilianoside E
(-)-Borivilianoside E
Formula C73H120O39
Mw 1620.7406741
CAS RN 1112992-33-2
C_ID C00047191 ,
InChIKey SUCVGEQWQJCCBT-FAIYRTMVNA-N
InChICode InChI=1S/C73H120O39/c1-24-9-14-73(99-19-24)25(2)40-35(112-73)16-32-30-8-7-28-15-29(10-12-71(28,5)31(30)11-13-72(32,40)6)102-69-61(51(88)45(82)38(106-69)22-97-63-53(90)48(85)41(78)26(3)100-63)110-70-62(111-65-52(89)43(80)33(76)20-95-65)60(46(83)37(18-75)104-70)109-66-56(93)58(34(77)21-96-66)107-68-57(94)59(108-67-55(92)50(87)44(81)36(17-74)103-67)47(84)39(105-68)23-98-64-54(91)49(86)42(79)27(4)101-64/h24-70,74-94H,7-23H2,1-6H3/t24-,25+,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-,53-,54-,55-,56-,57-,58+,59+,60+,61-,62-,63-,64-,65+,66+,67+,68+,69-,70+,71+,72+,73-/m1/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@]2([C@H]1C)OC[C@@H](CC2)C)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)CO[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnthericaceaeChlorophytum borivilianum Ref.
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