input word = C00063410

Metabolite InformationStructural formula
Name (alphaR,4R,4aR,6aR,7S,7aS,9R,10R,10aR,11R,11aS,11bR,12S)-alpha,7a,10,11-Tetrakis(acetyloxy)-4-(3-furanyl)hexadecahydro-11a-hydroxy-4a,7,9-trimethyl-2-oxo-7,9-methanocyclopenta[6,7]naphtho[2,1-c]pyran-12-acetic acid, methyl ester
Formula C35H44O14
Mw 688.27310612
CAS RN 929554-10-9
C_ID C00063410
InChIKey MODWWVKERCVJOU-JUCVVGTISA-N
InChICode InChI=1S/C35H44O14/c1-16(36)45-25(30(41)43-8)26-32(6)15-34(49-19(4)39)24(28(32)46-17(2)37)29(47-18(3)38)35(42)21(33(26,34)7)9-11-31(5)22(35)13-23(40)48-27(31)20-10-12-44-14-20/h10,12,14,21-22,24-29,42H,9,11,13,15H2,1-8H3/t21-,22-,24-,25-,26+,27+,28-,29-,31-,32-,33-,34+,35-/m1/s1
SMILES COC(=O)C(OC(C)=O)C1C2(C)CC3(OC(C)=O)C(C2OC(C)=O)C(OC(C)=O)C2(O)C4CC(=O)OC(c5ccoc5)C4(C)CCC2C13C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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