input word = C00012610

Metabolite InformationStructural formula
Name (2'S,3'R)-13'-Deoxy-2',3'-epoxy-2',3',7',8'-tetrahydro-13'-oxosatratoxin H
Mytoxin A
Formula C29H36O10
Mw 544.23084737
CAS RN 105049-16-9
C_ID C00012610 ,
InChIKey DRZCTJUHSSLCEB-VRLUUHDRNA-N
InChICode InChI=1S/C29H36O10/c1-16-7-9-26-14-34-23(32)22-28(39-22)10-11-35-27(17(2)30,24(28)33)8-5-4-6-21(31)38-18-13-20(37-19(26)12-16)29(15-36-29)25(18,26)3/h4,6,12,18-20,22,24,33H,5,7-11,13-15H2,1-3H3/b6-4-/t18-,19-,20-,22?,24+,25-,26-,27+,28-,29+/m1/s1
SMILES C1O[C@]2([C@@H]([C@@]3(C1)[C@@H](C(=O)OC[C@@]14[C@]5([C@H](OC(=O)/C=C\CC2)C[C@@H](O[C@@H]1C=C(CC4)C)[C@@]15OC1)C)O3)O)C(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisMyrothecium roridum Ref.
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