input word = C00051029

Metabolite InformationStructural formula
Name Javanicolide D
Formula C28H38O12
Mw 566.23632668
CAS RN 713503-91-4
C_ID C00051029
InChIKey BYOUNBVBMRXOLD-RWONVOLPNA-N
InChICode InChI=1S/C28H38O12/c1-11-7-14(29)21(32)26(5)13(11)9-15-27-10-38-28(24(35)37-6,22(33)17(31)19(26)27)20(27)18(23(34)39-15)40-16(30)8-12(2)25(3,4)36/h7-8,13-15,17-22,29,31-33,36H,9-10H2,1-6H3/b12-8+/t13-,14-,15+,17+,18+,19+,20+,21+,22-,26-,27+,28-/m0/s1
SMILES COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)[C@H](O)[C@@H](O)C=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)/C=C(C)C(C)(C)O)[C@@H]24
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeBrucea javanica Ref.
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