input word = C00030017

Metabolite InformationStructural formula
Name Cotyleloside A
Formula C48H42O14
Mw 842.25745605
CAS RN 886572-40-3
C_ID C00030017 ,
InChIKey RANYCRBQZGEUTN-UHFFFAOYNA-N
InChICode InChI=1S/C48H42O14/c49-19-34-44(57)45(58)46(59)48(62-34)60-29-14-23(13-27(53)15-29)37-35(20-1-7-24(50)8-2-20)42-36(21-3-9-25(51)10-4-21)38-30(16-28(54)17-31(38)55)39-41-33(18-32(56)40(37)43(41)42)61-47(39)22-5-11-26(52)12-6-22/h1-18,34-37,39,42,44-59H,19H2/t34-,35+,36+,37+,39+,42+,44-,45+,46-,47+,48-/m1/s1
SMILES c12c3[C@@H]4[C@H](c5c([C@@H]1[C@@H](Oc2cc(c3[C@H]([C@@H]4c1ccc(cc1)O)c1cc(cc(c1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)c1ccc(cc1)O)cc(cc5O)O)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipterocarpaceaeCotylelobium lanceolatum Ref.
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