input word = C00054371

Metabolite InformationStructural formula
Name Cucurbitachrome 2
Formula C40H56O4
Mw 600.41786028
CAS RN 181229-74-3
C_ID C00054371
InChIKey YMNKXGQZDVGTFM-LRJXZMMBSA-N
InChICode InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-40-37(7,8)26-33(43-40)27-39(40,10)42)15-11-12-16-29(2)19-14-20-31(4)34-23-35-36(5,6)24-32(41)25-38(35,9)44-34/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,33-,34-,38+,39+,40+/m0/s1
SMILES O[C@@]1(C)[C@@]2(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/[C@H]3O[C@@](C[C@@H](O)CC4(C)C)(C)C4=C3)C(C)(C)C[C@H](O2)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum var. longum Ref.
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