input word = C00030083

Metabolite InformationStructural formula
Name Dactylorhin B
(-)-Dactylorhin B
Formula C40H56O23
Mw 904.3212381
CAS RN 256459-36-6
C_ID C00030083 ,
InChIKey HCMCKZWEUHDBNH-ZNNGRYFQNA-N
InChICode InChI=1S/C40H56O23/c1-3-17(2)40(63-38-33(52)30(49)27(46)24(14-43)62-38,39(55)57-16-19-6-10-21(11-7-19)59-37-32(51)29(48)26(45)23(13-42)61-37)34(53)35(54)56-15-18-4-8-20(9-5-18)58-36-31(50)28(47)25(44)22(12-41)60-36/h4-11,17,22-34,36-38,41-53H,3,12-16H2,1-2H3/t17-,22+,23+,24+,25+,26+,27+,28-,29-,30-,31+,32+,33+,34+,36+,37+,38-,40+/m0/s1
SMILES c1(ccc(cc1)COC(=O)[C@@]([C@@H](C(=O)OCc1ccc(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)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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