input word = C00040578

Metabolite InformationStructural formula
Name Tubocapsenolide G
Formula C28H37ClO6
Mw 504.22786662
CAS RN 937803-34-4
C_ID C00040578 ,
InChIKey QYTOJLJPAFMAQT-RQTLKPSMNA-N
InChICode InChI=1S/C28H37ClO6/c1-13-10-20(35-25(33)14(13)2)15(3)26(4)18-6-7-19-16(17(18)12-24(26)32)11-21(29)28(34)23(31)9-8-22(30)27(19,28)5/h8-9,15-16,19-21,23-24,31-32,34H,6-7,10-12H2,1-5H3/t15-,16+,19+,20-,21+,23+,24-,26+,27+,28+/m1/s1
SMILES C1=C[C@@H]([C@@]2([C@](C1=O)([C@@H]1[C@@H](C[C@@H]2Cl)C2=C(CC1)[C@@]([C@@H](C2)O)([C@@H]([C@H]1CC(=C(C(=O)O1)C)C)C)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeTubocapsicum anomalum Ref.
zoom in