input word = C00058720

Metabolite InformationStructural formula
Name Semitortoside B
Formula C25H32O12
Mw 524.18937649
CAS RN 190520-35-5
C_ID C00058720
InChIKey VRQRQHLFPWDHHY-ZUDNURBKSA-N
InChICode InChI=1S/C25H32O12/c1-34-18-10-14(5-6-15(18)28)21(30)19(11-26)36-17-7-4-13(9-16(17)29)3-2-8-35-25-24(33)23(32)22(31)20(12-27)37-25/h2-7,9-10,19-33H,8,11-12H2,1H3/b3-2-/t19?,20-,21?,22-,23+,24-,25-/m1/s1
SMILES COc1cc(C(O)C(CO)Oc2ccc(/C=CCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrobanchaceaePedicularis alaschanica Ref.
PlantaeOrobanchaceaePedicularis chinensis Ref.
PlantaeOrobanchaceaePedicularis lasiophrys Ref.
PlantaeOrobanchaceaePedicularis longiflora Ref.
PlantaeOrobanchaceaePedicularis plicata Ref.
PlantaeOrobanchaceaePedicularis procera Ref.
PlantaeOrobanchaceaePedicularis semitorta Ref.
PlantaeOrobanchaceaePedicularis spicata Ref.
PlantaeOrobanchaceaePedicularis striata Ref.
PlantaeOrobanchaceaePedicularis striata pall ssp. arachnoidea Ref.
PlantaeOrobanchaceaePedicularis striata subsp. arachnoides Ref.
PlantaeOrobanchaceaePedicularis torta Ref.
PlantaeOrobanchaceaePedicularis verticillata Ref.
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