input word = C00016234

Metabolite InformationStructural formula
Name Ascosteroside
MK 6059
Formula C37H58O9
Mw 646.40808345
CAS RN 178330-12-6
C_ID C00016234 ,
InChIKey VWTJLWBUAZAHKW-VMNGYUKPNA-N
InChICode InChI=1S/C37H58O9/c1-19(2)20(3)9-10-21(4)26-17-29(39)37(34(42)43)25-12-11-23-22(5)27(14-15-35(23,6)24(25)13-16-36(26,37)7)45-33-31(41)30(40)32(44-8)28(18-38)46-33/h19,21,23,26-33,38-41H,3,5,9-18H2,1-2,4,6-8H3,(H,42,43)/t21-,23+,26-,27+,28+,29-,30-,31-,32-,33-,35?,36-,37-/m1/s1
SMILES C1[C@@H](C(=C)[C@H]2[C@](C1)(C1=C(CC2)[C@]2([C@](CC1)([C@H](C[C@H]2O)[C@H](C)CCC(=C)C(C)C)C)C(=O)O)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiXylariaceaeAscotricha amphitricha Ref.
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