input word = C00003715

Metabolite InformationStructural formula
Name 12alpha-Hydroxyamoorstatin
Formula C28H36O10
Mw 532.23084737
CAS RN 71590-47-1
C_ID C00003715 ,
InChIKey PUNWVWPDKCBXSA-LNXWRHAGNA-N
InChICode InChI=1S/C28H36O10/c1-12(29)37-18-9-17(31)27-11-36-23(34)24(18,2)15(27)8-16(30)26(4)21(27)20(32)22(33)25(3)14(13-5-6-35-10-13)7-19-28(25,26)38-19/h5-6,10,14-19,21-23,30-31,33-34H,7-9,11H2,1-4H3/t14-,15-,16+,17-,18+,19+,21-,22-,23+,24+,25+,26+,27+,28+/m0/s1
SMILES C1[C@H]([C@]2([C@H]3[C@]([C@H]1O)([C@@H]1[C@@]([C@@H](C3)O)([C@]34[C@]([C@H](C1=O)O)(C)[C@@H](C[C@H]3O4)c1cocc1)C)CO[C@H]2O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAphanamixis grandifolia Ref.
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