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 c12ccc3c(c1[C@@]1([C@@H](C(=C)C2)C[C@@H]1C(C)(O)C)O)c1c([nH]3)[C@]2(C(=C1)CC[C@@]1([C@@]2(CC[C@H]2[C@]31[C@@H]([C@H]([C@H](O2)C(=C)C)O)O3)C)O)C
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium crustosum Thom Ref.
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