input word = C00054307

Metabolite InformationStructural formula
Name Chaxine B
Formula C28H42O5
Mw 458.30322445
CAS RN 1201264-22-3
C_ID C00054307
InChIKey HTXUAQKMNHGMFH-ZYZODNLMSA-N
InChICode InChI=1S/C28H42O5/c1-17(2)18(3)7-8-19(4)22-9-10-23-21(24(30)12-13-27(22,23)5)16-26(32)33-28(6)14-11-20(29)15-25(28)31/h7-8,16-20,22-23,29H,9-15H2,1-6H3/b8-7+,21-16-/t18-,19+,20-,22+,23-,27+,28+/m0/s1
SMILES CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C(=O)O[C@]3(C)CC[C@H](O)CC3=O)C(=O)CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiStrophariaceaeAgrocybe chaxingu Ref.
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