input word = C00053469

Metabolite InformationStructural formula
Name Meliatetraolenone
Formula C32H42O10
Mw 586.27779756
CAS RN 586962-80-3
C_ID C00053469
InChIKey VLJSCGXPWWMGGI-RVAJXEQPSA-N
InChICode InChI=1S/C32H42O10/c1-14(2)11-19(35)41-27-23(40-8)25-29(3,4)10-9-18(34)32(25,7)24-22(37)26(38)30(5)17(31(24,27)6)13-16(33)21(30)15-12-20(36)42-28(15)39/h9-13,20-28,36-39H,1-8H3/t20?,21-,22+,23-,24+,25+,26+,27-,28?,30-,31+,32-/m1/s1
SMILES [H][C@@]([C@@]1(C)C([C@]2(C)[C@H](OC(/C=C(C)/C)=O)[C@H](OC)[C@@]([C@@]3(C)[C@@]2([H])[C@H](O)[C@@H]1O)([H])C(C)(C)C=CC3=O)=C4)(C5=CC(O)OC5O)C4=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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