input word = C00046800

Metabolite InformationStructural formula
Name Leontoside D
Formula C59H96O27
Mw 1236.61389786
CAS RN 20830-84-6
C_ID C00046800 ,
InChIKey VQYKWDTZZCEBNL-NIGPQFNYNA-N
InChICode InChI=1S/C59H96O27/c1-24-34(63)38(67)43(72)50(79-24)85-47-28(20-61)81-48(46(75)41(47)70)77-21-29-36(65)40(69)45(74)52(83-29)86-53(76)59-16-14-54(2,3)18-26(59)25-8-9-32-55(4)12-11-33(56(5,23-62)31(55)10-13-58(32,7)57(25,6)15-17-59)84-49-42(71)37(66)30(22-78-49)82-51-44(73)39(68)35(64)27(19-60)80-51/h8,24,26-52,60-75H,9-23H2,1-7H3/t24-,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-,55-,56-,57+,58+,59-/m0/s1
SMILES [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O[C@@H]1[C@H](O)[C@H]([C@@H](OC1)O[C@H]1CC[C@]2([C@H]([C@]1(C)CO)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@H](O)[C@H]([C@@H]([C@H](O1)CO)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)C)C)C)O)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeBongardia chrysogonum Ref.
PlantaeBerberidaceaeLeontice ewersmannii Ref.
PlantaeRanunculaceaePulsatilla dahurica Ref.
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OrganismPulsatilla dahurica
ReferenceChinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999).

Buckingham(Executive Editor), Dictionary of Natural Products, Chapman & Hall, 1994, Vol1-7

1995, Vol8

1996, Vol9

1997, Vol10

1998, Vol11