input word = C00049587

Metabolite InformationStructural formula
Name cis-Acteoside
Formula C29H36O15
Mw 624.20542048
CAS RN 97747-56-3
C_ID C00049587 ,
InChIKey FBSKJMQYURKNSU-CYYHJNDSNA-N
InChICode InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4-/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1
SMILES OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCCc1ccc(c(c1)O)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)OC(=O)/C=C\c1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia nodosa L. Ref.
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OrganismScrophularia nodosa L.
ReferenceMiyase,J.Nat.Prod.,62,(1999),1079