input word = C00038166

Metabolite InformationStructural formula
Name 15-Acetoxyorbiculin G
Formula C40H42O11
Mw 698.27271219
CAS RN 1033546-77-8
C_ID C00038166 ,
InChIKey YOWBCRNBOMRTPW-OEIIQBSSNA-N
InChICode InChI=1S/C40H42O11/c1-24-21-31(48-35(43)27-15-9-6-10-16-27)34(47-26(3)42)39(23-46-25(2)41)32(49-36(44)28-17-11-7-12-18-28)22-30-33(40(24,39)51-38(30,4)5)50-37(45)29-19-13-8-14-20-29/h6-20,24,30-34H,21-23H2,1-5H3/t24-,30-,31+,32+,33-,34+,39-,40-/m1/s1
SMILES CC(=O)OC[C@]12[C@@H](OC(=O)c3ccccc3)C[C@@H]3C(OC(=O)c4ccccc4)[C@]1(OC3(C)C)[C@H](C)C[C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMicrotropis japonica Ref.
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