input word = C00038917

Metabolite InformationStructural formula
Name Dactylorhin E
(-)-Dactylorhin E
Formula C27H40O16
Mw 620.23163523
CAS RN 256459-40-2
C_ID C00038917 ,
InChIKey VFBUSVIPUISQAJ-ZTSHTFGONA-N
InChICode InChI=1S/C27H40O16/c1-3-12(2)27(8-17(30)31,43-25-23(37)21(35)19(33)16(10-29)42-25)26(38)39-11-13-4-6-14(7-5-13)40-24-22(36)20(34)18(32)15(9-28)41-24/h4-7,12,15-16,18-25,28-29,32-37H,3,8-11H2,1-2H3,(H,30,31)/t12-,15-,16-,18-,19-,20+,21+,22-,23-,24-,25+,27+/m1/s1
SMILES CCC(C)C(CC(=O)O)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaeGymnadenia conopsea Ref.
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OrganismGymnadenia conopsea
ReferenceZi,J.Nat.Prod.,71,(2008),799