input word = C00030082

Metabolite InformationStructural formula
Name Dactylorhin A
Formula C40H56O22
Mw 888.32632348
CAS RN 256459-34-4
C_ID C00030082 ,
InChIKey JPPTWHZTSAJAKN-KNVCFJMENA-N
InChICode InChI=1S/C40H56O22/c1-3-18(2)40(62-38-35(53)32(50)29(47)25(15-43)61-38,39(54)56-17-20-6-10-22(11-7-20)58-37-34(52)31(49)28(46)24(14-42)60-37)12-26(44)55-16-19-4-8-21(9-5-19)57-36-33(51)30(48)27(45)23(13-41)59-36/h4-11,18,23-25,27-38,41-43,45-53H,3,12-17H2,1-2H3/t18-,23+,24+,25+,27+,28+,29+,30-,31-,32-,33+,34+,35+,36+,37+,38-,40-/m0/s1
SMILES c1(ccc(cc1)COC(=O)[C@@](CC(=O)OCc1ccc(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H](CC)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaeGymnadenia conopsea R.BR. Ref.
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