input word = C00026814

Metabolite InformationStructural formula
Name Thomitrem E
Formula C37H45NO6
Mw 599.32468818
CAS RN 502759-47-9
C_ID C00026814 ,
InChIKey ZWRTYVFRLUECPA-VASKEDFUNA-N
InChICode InChI=1S/C37H45NO6/c1-17(2)29-28(39)31-37(44-31)25(43-29)11-12-33(6)34(7)20(10-13-35(33,37)41)15-21-26-23(38-30(21)34)9-8-19-14-18(3)22-16-24(32(4,5)40)36(22,42)27(19)26/h8-9,15,22,24-25,28-29,31,38-42H,1,3,10-14,16H2,2,4-7H3/t22-,24+,25-,28-,29+,31+,33+,34?,35-,36-,37-/m0/s1
SMILES C=C(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CCC4=Cc5c([nH]c6ccc7c(c56)[C@@]5(O)[C@H](C[C@@H]5C(C)(C)O)C(=C)C7)[C@@]43C)[C@]23O[C@@H]3[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium crustosum Thom Ref.
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