input word = C00030634

Metabolite InformationStructural formula
Name Lancemaside G
(-)-Lancemaside G
Formula C57H90O27
Mw 1206.56694767
CAS RN 1039450-82-2
C_ID C00030634 ,
InChIKey FQMCSBNLJMQJNU-LNVYJSCDNA-N
InChICode InChI=1S/C57H90O27/c1-21-40(79-47-39(71)41(27(61)20-76-47)80-46-36(68)31(63)25(59)18-75-46)35(67)38(70)48(78-21)82-43-32(64)26(60)19-77-50(43)84-51(74)57-14-13-52(2,3)15-23(57)22-9-10-29-54(6)16-24(58)44(83-49-37(69)33(65)34(66)42(81-49)45(72)73)53(4,5)28(54)11-12-55(29,7)56(22,8)17-30(57)62/h9,21,23-44,46-50,58-71H,10-20H2,1-8H3,(H,72,73)/t21-,23-,24-,25+,26-,27+,28-,29+,30+,31-,32+,33-,34-,35+,36+,37+,38+,39+,40-,41-,42-,43-,44-,46-,47-,48-,49-,50+,54-,55+,56+,57+/m0/s1
SMILES [C@H]1([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)O)C)C)C)(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCampanulaceae/LobeliaceaeCodonopsis lanceolata Ref.
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