input word = C00057605

Metabolite InformationStructural formula
Name Perulactone B
Formula C28H40O7
Mw 488.27740363
CAS RN 85643-90-9
C_ID C00057605
InChIKey GRNQXNIWEPWACV-WDLFJYIDSA-N
InChICode InChI=1S/C28H40O7/c1-16-17(15-35-23(16)31)14-22(30)26(4,32)28(34)13-12-27(33)20-9-8-18-6-5-7-21(29)25(18,3)19(20)10-11-24(27,28)2/h5,7-8,16-17,19-20,22,30,32-34H,6,9-15H2,1-4H3/t16-,17-,19+,20-,22-,24+,25+,26+,27-,28+/m1/s1
SMILES O=C(C=CC1)[C@@]2(C)C1=CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3(O)CC[C@]4([C@](O)(C)[C@H](O)C[C@H]5[C@@H](C)C(OC5)=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis peruviana Ref.
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