input word = C00016054

Metabolite InformationStructural formula
Name Thielavin B
Formula C31H34O10
Mw 566.21519731
CAS RN 71950-67-9
C_ID C00016054 ,
InChIKey UULGWGARYDGVBM-UHFFFAOYSA-N
InChICode InChI=1S/C31H34O10/c1-12-11-20(32)17(6)24(33)21(12)30(36)40-26-16(5)14(3)23(28(39-10)19(26)8)31(37)41-25-15(4)13(2)22(29(34)35)27(38-9)18(25)7/h11,32-33H,1-10H3,(H,34,35)
SMILES c1c(c(c(c(c1C)C(=O)Oc1c(c(c(c(c1C)C)C(=O)Oc1c(c(c(c(c1C)C)C(=O)O)OC)C)OC)C)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiChaetomiaceaeThielavia terricola Ref.
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