input word = C00055394

Metabolite InformationStructural formula
Name Asparagoside B
Formula C33H56O9
Mw 596.39243339
CAS RN 60237-69-6
C_ID C00055394
InChIKey FBJYDOQUXQMQSS-TXUJEBAWSA-N
InChICode InChI=1S/C33H56O9/c1-17(16-40-30-29(38)28(37)27(36)25(15-34)41-30)7-12-33(39)18(2)26-24(42-33)14-23-21-6-5-19-13-20(35)8-10-31(19,3)22(21)9-11-32(23,26)4/h17-30,34-39H,5-16H2,1-4H3/t17-,18-,19+,20-,21+,22-,23-,24-,25+,26-,27+,28-,29+,30+,31-,32-,33+/m0/s1
SMILES O[C@@H]1C[C@](CC[C@]2([H])[C@]3([H])CC[C@@]4(C)[C@@]2([H])C[C@@]5([H])[C@]4([H])[C@H](C)[C@@](O)(CC[C@H](C)CO[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)O5)([H])[C@]3(C)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus officinalis Ref.
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