input word = C00003436

Metabolite InformationStructural formula
Name Hymatoxin A
Formula C20H30O7S
Mw 414.17122404
CAS RN 109621-33-2
C_ID C00003436 ,
InChIKey ITEVFNFZADKMQH-APVVWQHNNA-N
InChICode InChI=1S/C20H30O7S/c1-17(9-10-26-28(23,24)25)7-8-20(22)13(12-17)11-14-15-18(2,16(21)27-14)5-4-6-19(15,20)3/h11,14-15,22H,4-10,12H2,1-3H3,(H,23,24,25)/t14-,15-,17+,18-,19-,20+/m0/s1
SMILES C1C[C@]2([C@H]3[C@](C1)([C@@]1(C(=C[C@@H]3OC2=O)C[C@@](CC1)(C)CCOS(=O)(=O)O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiXylariaceaeHypoxylon mammatum Ref.
PlantaeSalicaceaePopulus tremuloides Ref.
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