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 CO[C@H]1[C@@H](OC(=O)C=C(C)C)[C@@]2(C)C3=CC(=O)[C@@H](C4=CC(O)OC4O)[C@]3(C)[C@@H](O)[C@@H](O)[C@@H]2[C@@]2(C)C(=O)C=CC(C)(C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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