input word = C00045859

Metabolite InformationStructural formula
Name Dihydrotubingensin A
Formula C28H37NO
Mw 403.28751481
CAS RN 354154-75-9
C_ID C00045859 ,
InChIKey VNRBHDIODBBYFF-UOPPCQOLNA-N
InChICode InChI=1S/C28H37NO/c1-18(2)8-7-14-28-23-17-22-21-9-5-6-10-24(21)29-25(22)16-20(23)13-15-27(28,4)19(3)11-12-26(28)30/h5-6,8-10,19,26,29-30H,7,11-17H2,1-4H3/t19-,26+,27+,28-/m1/s1
SMILES CC(C)=CCC[C@]12C3=C(CC[C@@]1(C)[C@H](C)CC[C@@H]2O)Cc1[nH]c2ccccc2c1C3
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Indole-3 GGPP IPP
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus tubingensis Ref.
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