input word = C00015073

Metabolite InformationStructural formula
Name Anicequol
NGA 0187
Formula C30H48O6
Mw 504.34508927
CAS RN 440368-05-8
C_ID C00015073 ,
InChIKey LWMKDRSIMLTGDK-XHHSFKDBNA-N
InChICode InChI=1S/C30H48O6/c1-15(2)16(3)8-9-17(4)25-23(36-18(5)31)13-20-24-26(22(33)14-30(20,25)7)29(6)11-10-19(32)12-21(29)27(34)28(24)35/h8-9,15-17,19-26,28,32-33,35H,10-14H2,1-7H3/b9-8+/t16-,17-,19-,20-,21+,22-,23-,24-,25-,26-,28+,29-,30-/m0/s1
SMILES CC(=O)O[C@H]1C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@]2(C)[C@H]1[C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CC[C@H](O)C[C@@H]1C(=O)[C@@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiHypocreaceaeAcremonium sp. TF-0356 Ref.
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