input word = C00043044

Metabolite InformationStructural formula
Name Strychoside B
(-)-Strychoside B
Formula C66H90O37
Mw 1474.5160939
CAS RN 868171-33-9
C_ID C00043044 ,
InChIKey JGFCDHIJCNLFPY-VQELBSBBNA-N
InChICode InChI=1S/C66H90O37/c1-7-25-27(30(18-90-59(25)100-63-51(80)47(76)43(72)36(14-68)96-63)57(86)94-34-11-28-31(55(84)88-5)19-92-61(40(28)22(34)3)102-65-53(82)49(78)45(74)38(16-70)98-65)10-9-24(13-67)42-26(8-2)60(101-64-52(81)48(77)44(73)37(15-69)97-64)91-21-33(42)58(87)95-35-12-29-32(56(85)89-6)20-93-62(41(29)23(35)4)103-66-54(83)50(79)46(75)39(17-71)99-66/h7-9,13,18-23,25-29,34-54,59-66,68-83H,1-2,10-12,14-17H2,3-6H3/b24-9-/t22-,23-,25+,26+,27-,28+,29+,34+,35-,36+,37+,38+,39+,40+,41+,42-,43+,44+,45+,46+,47-,48-,49-,50-,51+,52+,53+,54+,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1
SMILES [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O[C@@H]1OC=C([C@H]([C@H]1C=C)/C(=C\C[C@H]1[C@H]([C@@H](OC=C1C(=O)O[C@H]1[C@@H]([C@@H]2[C@H](C1)C(=CO[C@H]2O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C(=O)OC)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C=C)/C=O)C(=O)O[C@H]1C[C@H]2[C@@H]([C@H]1C)[C@@H](OC=C2C(=O)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos spinosa Ref.
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