input word = C00045522

Metabolite InformationStructural formula
Name 16-Hydroxyroridin E
(-)-16-Hydroxyroridin E
Formula C29H38O9
Mw 530.25158281
CAS RN 436144-43-3
C_ID C00045522 ,
InChIKey DUKCZSLAWRKJBB-QTRHFQMLNA-N
InChICode InChI=1S/C29H38O9/c1-18-9-11-34-21(19(2)31)6-4-5-7-25(32)38-22-14-24-29(17-36-29)27(22,3)28(16-35-26(33)12-18)10-8-20(15-30)13-23(28)37-24/h4-7,12-13,19,21-24,30-31H,8-11,14-17H2,1-3H3/b6-4+,7-5+,18-12+/t19-,21-,22-,23-,24?,27-,28-,29+/m1/s1
SMILES O1[C@H](/C=C/C=C/C(=O)O[C@H]2[C@@]3([C@@]4(COC(=O)/C=C(/CC1)\C)CCC(=C[C@H]4O[C@@H]([C@]13CO1)C2)CO)C)[C@@H](C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisMyrothecium roridum Ref.
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OrganismMyrothecium roridum
ReferenceAlvi,J.Nat.Prod.,65,(2002),742