input word = C00049174

Metabolite InformationStructural formula
Name Glomeratose G
(-)-Glomeratose G
Formula C67H78O35
Mw 1442.43236427
CAS RN 202471-91-8
C_ID C00049174 ,
InChIKey YQPXAOVMGGKAPD-IAIQQAQVNA-N
InChICode InChI=1S/C67H78O35/c1-31(71)89-28-43-50(79)54(83)57(86)65(95-43)98-59-58(97-47(76)23-15-34-12-20-38(39(24-34)88-2)92-63-55(84)52(81)48(77)40(25-68)93-63)44(29-90-45(74)21-13-32-8-16-36(72)17-9-32)96-66(60(59)99-64-56(85)53(82)49(78)41(26-69)94-64)102-67(30-91-46(75)22-14-33-10-18-37(73)19-11-33)61(51(80)42(27-70)101-67)100-62(87)35-6-4-3-5-7-35/h3-24,40-44,48-61,63-66,68-70,72-73,77-86H,25-30H2,1-2H3/b21-13+,22-14+,23-15+/t40-,41-,42-,43-,44-,48-,49-,50-,51-,52+,53+,54+,55-,56-,57-,58-,59+,60-,61+,63-,64+,65+,66-,67+/m1/s1
SMILES O1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1COC(=O)/C=C/c1ccc(cc1)O)OC(=O)/C=C/c1ccc(c(c1)OC)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@@]1(O[C@@H]([C@H]([C@@H]1OC(=O)c1ccccc1)O)CO)COC(=O)/C=C/c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala glomerata Ref.
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