input word = C00041970

Metabolite InformationStructural formula
Name Xyloccensin Z1
Formula C33H42O14
Mw 662.25745605
CAS RN 905704-08-7
C_ID C00041970 ,
InChIKey QKTBSFGBXSKROA-UHFFFAOYNA-N
InChICode InChI=1S/C33H42O14/c1-14(34)44-20-10-19-31(6)24(23(38)28(39)42-7)29(4)13-32(31,40)22(26(29)45-15(2)35)27(46-16(3)36)33(19,41)18-11-21(37)47-25(30(18,20)5)17-8-9-43-12-17/h8-9,12,18-20,22-27,38,40-41H,10-11,13H2,1-7H3/t18-,19+,20-,22-,23+,24+,25+,26+,27-,29-,30+,31+,32+,33-/m1/s1
SMILES [C@]12([C@H]([C@@H](C(=O)OC)O)[C@@]3([C@H]4[C@]([C@@H]5CC(=O)O[C@H]([C@@]5([C@@H](C4)OC(=O)C)C)c4ccoc4)([C@@H]([C@H]([C@]3(C2)O)[C@@H]1OC(=O)C)OC(=O)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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