input word = C00030633

Metabolite InformationStructural formula
Name Lancemaside F
(-)-Lancemaside F
Formula C69H110O36
Mw 1514.67767991
CAS RN 1039450-81-1
C_ID C00030633 ,
InChIKey YAFIEQCCWNDMHQ-POAQLVQKNA-N
InChICode InChI=1S/C69H110O36/c1-24-49(99-57-47(87)50(28(73)22-93-57)100-56-42(82)36(76)27(72)21-92-56)41(81)45(85)58(95-24)104-54-51(101-59-43(83)39(79)37(77)30(19-70)96-59)29(74)23-94-62(54)105-63(91)69-16-15-64(2,3)17-26(69)25-9-10-33-66(6)13-12-35(65(4,5)32(66)11-14-67(33,7)68(25,8)18-34(69)75)98-61-48(88)52(46(86)53(103-61)55(89)90)102-60-44(84)40(80)38(78)31(20-71)97-60/h9,24,26-54,56-62,70-88H,10-23H2,1-8H3,(H,89,90)/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-,53-,54-,56-,57-,58-,59-,60-,61+,62+,66-,67+,68+,69+/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)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[C@@H]1OC[C@H]([C@@H]([C@H]1O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)C)C)C)(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCampanulaceae/LobeliaceaeCodonopsis lanceolata Ref.
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OrganismCodonopsis lanceolata
ReferenceIchikawa,J.Nat.Med.,62,(2008),423