input word = C00030690

Metabolite InformationStructural formula
Name Loroglossin
Formula C34H46O18
Mw 742.26841467
CAS RN 58139-22-3
C_ID C00030690 ,
InChIKey RALONRKWUJSZDW-IUMRVXNWNA-N
InChICode InChI=1S/C34H46O18/c1-3-16(2)34(46,33(45)48-15-18-6-10-20(11-7-18)50-32-28(42)26(40)24(38)22(13-36)52-32)29(43)30(44)47-14-17-4-8-19(9-5-17)49-31-27(41)25(39)23(37)21(12-35)51-31/h4-11,16,21-29,31-32,35-43,46H,3,12-15H2,1-2H3/t16-,21+,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,34+/m0/s1
SMILES c1(ccc(cc1)COC(=O)[C@@]([C@@H](C)CC)([C@H](O)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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaeGymnadenia conopsea R.BR. Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
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