input word = C00059479

Metabolite InformationStructural formula
Name (1aR,2R,4S,5S,5aR,7aR,8R,11aR,11bS,12aR)-alpha,2-Bis(acetyloxy)-8-(3-furanyl)dodecahydro-3,3,5,7a-tetramethyl-10,13-dioxo-1,5-methano-2H,8H-oxireno[1,8]cycloocta[1,2-f][2]benzopyran-4-acetic acid, methyl ester
Formula C31H38O11
Mw 586.24141206
CAS RN 1247869-00-6
C_ID C00059479
InChIKey BZXVLPAQPIKOPP-HCHIFXKNSA-N
InChICode InChI=1S/C31H38O11/c1-14(32)39-21(27(36)37-7)22-28(3,4)25(40-15(2)33)20-23(35)30(22,6)17-8-10-29(5)18(31(17)26(20)42-31)12-19(34)41-24(29)16-9-11-38-13-16/h9,11,13,17-18,20-22,24-26H,8,10,12H2,1-7H3/t17-,18-,20-,21?,22+,24+,25-,26-,29-,30-,31-/m1/s1
SMILES COC(=O)C(OC(C)=O)C1C(C)(C)C(OC(C)=O)C2C(=O)C1(C)C1CCC3(C)C(c4ccoc4)OC(=O)CC3C13OC23
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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