input word = C00043830

Metabolite InformationStructural formula
Name Polianthoside G
Formula C62H104O33
Mw 1376.64598585
CAS RN 655233-84-4
C_ID C00043830 ,
InChIKey SVYMVHYOPRFIGU-WSEQXXKTNA-N
InChICode InChI=1S/C62H104O33/c1-22(20-83-54-46(78)42(74)38(70)31(15-63)86-54)7-12-62(82)23(2)36-30(95-62)14-28-26-6-5-24-13-25(8-10-60(24,3)27(26)9-11-61(28,36)4)85-56-48(80)44(76)50(35(19-67)90-56)91-59-53(52(41(73)34(18-66)89-59)93-57-47(79)43(75)39(71)32(16-64)87-57)94-58-49(81)51(40(72)33(17-65)88-58)92-55-45(77)37(69)29(68)21-84-55/h22-59,63-82H,5-21H2,1-4H3/t22-,23+,24+,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-/m1/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@](C1)([C@@H]1[C@H](C3)O[C@@]([C@H]1C)(CC[C@H](CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)C)O)C)CC[C@@H]1[C@@]2(CC[C@@H](C1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)CO)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAgavaceaePolianthes tuberosa Ref.
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OrganismPolianthes tuberosa
ReferenceJin,J.Nat.Prod.,67,(2004),5