input word = C00057470

Metabolite InformationStructural formula
Name Moracetin
Formula C33H40O22
Mw 788.20112297
CAS RN 61474-16-6
C_ID C00057470
InChIKey XXHSUYNZCSBPBG-GZIDCZEMSA-N
InChICode InChI=1S/C33H40O22/c34-6-15-19(39)23(43)26(46)31(52-15)49-7-16-20(40)24(44)27(47)32(53-16)50-8-17-21(41)25(45)28(48)33(54-17)55-30-22(42)18-13(38)4-10(35)5-14(18)51-29(30)9-1-2-11(36)12(37)3-9/h1-5,15-17,19-21,23-28,31-41,43-48H,6-8H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,27-,28-,31-,32-,33+/m1/s1
SMILES O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](OC4=C(C5=CC(O)=C(O)C=C5)OC6=C(C(O)=CC(O)=C6)C4=O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeMorus alba Ref.
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