input word = C00048083

Metabolite InformationStructural formula
Name Roxburghiadiol A
Formula C29H48O2
Mw 428.36543078
CAS RN 103629-93-2
C_ID C00048083 ,
InChIKey FLFAKBJFVNSCHC-XXWHWBCLNA-N
InChICode InChI=1S/C29H48O2/c1-18(2)19(3)7-8-20(4)22-10-11-27(6)25-16-24(31)23-15-21(30)9-12-28(23)17-29(25,28)14-13-26(22,27)5/h18,20-25,30-31H,3,7-17H2,1-2,4-6H3/t20-,21+,22-,23-,24-,25+,26-,27+,28-,29+/m1/s1
SMILES C1[C@]23[C@H]([C@]4([C@](C1)([C@H](CC4)[C@@H](CCC(=C)C(C)C)C)C)C)C[C@H]([C@@H]1[C@@]2(CC[C@@H](C1)O)C3)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAglaia roxburghiana Ref.
PlantaeMeliaceaeSwietenia macrophylla Ref.
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