input word = C00056528

Metabolite InformationStructural formula
Name Erinacine R
Formula C27H38O9
Mw 506.25158281
CAS RN 1159203-25-4
C_ID C00056528
InChIKey SRARCXKPZDYZMB-GYGNKXPFSA-N
InChICode InChI=1S/C27H38O9/c1-13(2)16-6-7-26(4)20(31)10-27(5)17(22(16)26)9-19(35-14(3)29)15(11-28)8-21(27)36-25-24(33)23(32)18(30)12-34-25/h8,11,13,17-19,21,23-25,30,32-33H,6-7,9-10,12H2,1-5H3/t17-,18-,19-,21+,23+,24-,25+,26-,27-/m1/s1
SMILES CC(C)C1=C([C@]2([H])[C@](C3)(C)[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C=C(C=O)[C@H](OC(C)=O)C2)[C@@](CC1)(C)C3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiHericiaceaeHericium erinaceum Ref.
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