input word = C00000503

Metabolite InformationStructural formula
Name Xuxuarin A alpha
Formula C56H70O7
Mw 854.51215459
CAS RN 161017-04-5
C_ID C00000503 ,
InChIKey QCUJGLWGIRBTJM-LPVJJEOENA-N
InChICode InChI=1S/C56H70O7/c1-30-23-41-47(4,28-37(30)58)15-19-51(8)40-14-13-33-34(49(40,6)17-21-52(41,51)9)26-44(60)56(61)55(33,12)63-46-32(3)45-35(25-39(46)62-56)50(7)18-22-53(10)42-24-31(2)38(59)29-48(42,5)16-20-54(53,11)43(50)27-36(45)57/h13-14,25-27,30-31,41-42,61H,15-24,28-29H2,1-12H3/t30-,31-,41-,42+,47+,48+,49+,50+,51-,52+,53+,54?,55+,56-/m1/s1
SMILES [C@@H]1(C(=O)C[C@]2([C@H](C1)[C@]1([C@](CC2)(C2=CC(=O)c3c([C@@]2(CC1)C)cc1c(c3C)O[C@@]2([C@](O1)(C(=O)C=C1C2=CC=C2[C@]1(CC[C@@]1([C@@]2(CC[C@@]2([C@H]1C[C@H](C(=O)C2)C)C)C)C)C)O)C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus chuchuhuasca Ref.
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