input word = C00041496

Metabolite InformationStructural formula
Name Diaporthein A
Formula C20H30O6
Mw 366.20423869
CAS RN 577705-63-6
C_ID C00041496 ,
InChIKey NKAJJQQELXJQCL-QJXZQZKHNA-N
InChICode InChI=1S/C20H30O6/c1-5-16(4)9-12-14(22)19(24)20(25)15(2,3)7-6-8-17(20,11-26-19)18(12,23)13(21)10-16/h5,9,13-14,21-25H,1,6-8,10-11H2,2-4H3/t13-,14-,16-,17+,18+,19-,20-/m1/s1
SMILES C1[C@@]23[C@](C(CC1)(C)C)([C@]([C@@H](C1=C[C@](C[C@H]([C@]21O)O)(C=C)C)O)(O)OC3)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiDiatrypaceaeEutypella scoparia PSU-D44 Ref.
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