input word = C00042453

Metabolite InformationStructural formula
Name Deformylcalbistrin A
(+)-Deformylcalbistrin A
Formula C30H40O7
Mw 512.27740363
CAS RN 153902-43-3
C_ID C00042453 ,
InChIKey FOSKFWGVTULUAP-VQLCTGHMNA-N
InChICode InChI=1S/C30H40O7/c1-18(11-9-13-25(32)33)10-8-12-20(3)27(34)21(4)28(35)37-24-17-19(2)16-23-14-15-29(6,36)30(7,22(5)31)26(23)24/h8-16,19,21,24,26-27,34,36H,17H2,1-7H3,(H,32,33)/b10-8+,13-9+,18-11+,20-12+/t19-,21+,24+,26+,27+,29-,30-/m1/s1
SMILES C1[C@@H](C=C2[C@@H]([C@H]1OC(=O)[C@H]([C@H](/C(=C/C=C/C(=C/C=C/C(=O)O)/C)/C)O)C)[C@]([C@@](C=C2)(O)C)(C(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium striatisporum Ref.
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OrganismPenicillium striatisporum
ReferenceStewart,J.Nat.Prod.,68,(2005),581