input word = C00044418

Metabolite InformationStructural formula
Name 12beta-Acetoxyergost-5-ene-3beta,23-diol
(-)-12beta-Acetoxyergost-5-ene-3beta,23-diol
Formula C30H50O4
Mw 474.37091008
CAS RN 495380-46-6
C_ID C00044418 ,
InChIKey FWOFLAFLCPNJMF-QAQSVUTFNA-N
InChICode InChI=1S/C30H50O4/c1-17(2)19(4)27(33)14-18(3)24-10-11-25-23-9-8-21-15-22(32)12-13-29(21,6)26(23)16-28(30(24,25)7)34-20(5)31/h8,17-19,22-28,32-33H,9-16H2,1-7H3/t18-,19-,22+,23+,24-,25+,26+,27-,28-,29+,30-/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)C[C@H]([C@]1([C@H]3CC[C@@H]1[C@@H](C[C@H]([C@@H](C(C)C)C)O)C)C)OC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Capnella lacertiliensis Ref.
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