input word = C00042812

Metabolite InformationStructural formula
Name Oxalicine B
(+)-Oxalicine B
Formula C30H33NO6
Mw 503.23078779
CAS RN 509095-69-6
C_ID C00042812 ,
InChIKey FIWRZQROYVDBSG-CTPOQFPCNA-N
InChICode InChI=1S/C30H33NO6/c1-18(2)29(34)12-11-27(4)24(28(29)10-9-25(32)35-17-28)8-7-19(3)30(27)15-21-23(37-30)14-22(36-26(21)33)20-6-5-13-31-16-20/h5-7,13-14,16,24,34H,1,8-12,15,17H2,2-4H3/t24-,27+,28-,29+,30-/m0/s1
SMILES C1(=CC[C@H]2[C@]([C@@]31Cc1c(O3)cc(oc1=O)c1cnccc1)(CC[C@]([C@@]12CCC(=O)OC1)(C(=C)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium thiersii Ref.
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