input word = C00042332

Metabolite InformationStructural formula
Name Calbistrin C
(+)-Calbistrin C
Formula C31H42O8
Mw 542.28796832
CAS RN 147385-34-0
C_ID C00042332 ,
InChIKey VBTJSQZQYFMROV-OZRSUMCMNA-N
InChICode InChI=1S/C31H42O8/c1-19(10-8-12-26(34)35)9-7-11-21(3)28(36)22(4)29(37)39-24-18-20(2)17-23-13-15-30(5,38)31(6,27(23)24)25(33)14-16-32/h7-13,15,17,20,22,24,27-28,32,36,38H,14,16,18H2,1-6H3,(H,34,35)/b9-7+,12-8+,19-10+,21-11+/t20-,22+,24+,27-,28+,30-,31-/m1/s1
SMILES [C@H]12C(=C[C@H](C[C@@H]2OC(=O)[C@@H](C)[C@@H](O)/C(=C/C=C/C(=C/C=C/C(=O)O)/C)/C)C)C=C[C@@]([C@@]1(C(=O)CCO)C)(C)O
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