input word = C00003179

Metabolite InformationStructural formula
Name Roridin A
Formula C29H40O9
Mw 532.26723288
CAS RN 14729-29-4
C_ID C00003179 ,
InChIKey NSFWWJIQIKBZMJ-FWVSJTCFNA-N
InChICode InChI=1S/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6-/t18-,19-,20+,21-,22-,23-,25+,27-,28-,29+/m1/s1
SMILES C1(=C[C@@H]2[C@]3(CC1)[C@@]1([C@@]4([C@H](O2)C[C@H]1OC(=O)/C=C\C=C\[C@H](OCC[C@H]([C@@H](C(=O)OC3)O)C)[C@@H](C)O)CO4)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisMyrothecium roridum Ref.
FungiIncertae sedisMyrothecium verrucaria Ref.
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OrganismMyrothecium roridum
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter50